 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895302/Gau-1438.inp" -scrdir="/scratch/9895302/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1448.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:13:51 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:13:51 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Wed Mar 16 19:13:52 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393451555 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0189978020 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1696
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.11D-09
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =      98
 GePol: Fraction of low-weight points (<1% of avg)   =       5.78%
 GePol: Cavity surface area                          =    226.592 Ang**2
 GePol: Cavity volume                                =    233.428 Ang**3
 Leave Link  301 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:              14.0 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.54D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:13:54 2022, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:13:55 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:13:56 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8629248.
 Iteration    1 A*A^-1 deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.22D-15 for   1695   1062.
 Iteration    1 A^-1*A deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.20D-15 for   1655   1386.
 E= -687.337857552226    
 DIIS: error= 1.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.337857552226     IErMin= 1 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.35D-03 BMatP= 9.35D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 GapD=    0.297 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.24D-02 MaxDP=7.05D-01              OVMax= 2.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.24D-02    CP:  1.00D+00
 E= -687.347486542106     Delta-E=       -0.009628989880 Rises=F Damp=F
 DIIS: error= 3.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.347486542106     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 3.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-04 BMatP= 9.35D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.18D-03
 Coeff-Com: -0.469D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.468D-02 0.100D+01
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=7.79D-04 MaxDP=9.57D-02 DE=-9.63D-03 OVMax= 2.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.51D-04    CP:  9.89D-01  1.03D+00
 E= -687.347355744133     Delta-E=        0.000130797972 Rises=F Damp=F
 DIIS: error= 4.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.347486542106     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 4.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-04 BMatP= 1.82D-04
 IDIUse=3 WtCom= 3.26D-01 WtEn= 6.74D-01
 Coeff-Com: -0.155D-01 0.614D+00 0.401D+00
 Coeff-En:   0.000D+00 0.644D+00 0.356D+00
 Coeff:     -0.503D-02 0.634D+00 0.371D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=8.86D-05 MaxDP=6.29D-03 DE= 1.31D-04 OVMax= 1.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.39D-05    CP:  9.90D-01  1.03D+00  9.38D-01
 E= -687.347640683149     Delta-E=       -0.000284939016 Rises=F Damp=F
 DIIS: error= 2.05D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.347640683149     IErMin= 4 ErrMin= 2.05D-05
 ErrMax= 2.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-06 BMatP= 1.82D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.353D-02 0.101D+00 0.466D-01 0.856D+00
 Coeff:     -0.353D-02 0.101D+00 0.466D-01 0.856D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=3.19D-05 MaxDP=2.55D-03 DE=-2.85D-04 OVMax= 2.72D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.83D-05    CP:  9.90D-01  1.03D+00  9.72D-01  1.14D+00
 E= -687.347641271067     Delta-E=       -0.000000587918 Rises=F Damp=F
 DIIS: error= 1.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.347641271067     IErMin= 5 ErrMin= 1.89D-05
 ErrMax= 1.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-07 BMatP= 1.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.606D-03-0.202D-02-0.109D-01 0.449D+00 0.565D+00
 Coeff:     -0.606D-03-0.202D-02-0.109D-01 0.449D+00 0.565D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=9.05D-06 MaxDP=9.15D-04 DE=-5.88D-07 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.74D-06    CP:  9.90D-01  1.03D+00  9.80D-01  1.16D+00  7.50D-01
 E= -687.347641818434     Delta-E=       -0.000000547367 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.347641818434     IErMin= 6 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-08 BMatP= 5.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.316D-04-0.743D-02-0.610D-02 0.105D+00 0.196D+00 0.713D+00
 Coeff:      0.316D-04-0.743D-02-0.610D-02 0.105D+00 0.196D+00 0.713D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.97D-06 MaxDP=2.11D-04 DE=-5.47D-07 OVMax= 1.92D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.94D-07    CP:  9.90D-01  1.03D+00  9.82D-01  1.17D+00  7.82D-01
                    CP:  9.88D-01
 E= -687.347641827921     Delta-E=       -0.000000009487 Rises=F Damp=F
 DIIS: error= 1.11D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.347641827921     IErMin= 7 ErrMin= 1.11D-06
 ErrMax= 1.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-09 BMatP= 1.32D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.659D-04-0.398D-02-0.240D-02 0.266D-01 0.672D-01 0.380D+00
 Coeff-Com:  0.533D+00
 Coeff:      0.659D-04-0.398D-02-0.240D-02 0.266D-01 0.672D-01 0.380D+00
 Coeff:      0.533D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=3.99D-07 MaxDP=2.61D-05 DE=-9.49D-09 OVMax= 9.43D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.02D-07    CP:  9.90D-01  1.03D+00  9.83D-01  1.17D+00  7.91D-01
                    CP:  9.99D-01  9.08D-01
 E= -687.347641829802     Delta-E=       -0.000000001880 Rises=F Damp=F
 DIIS: error= 3.52D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.347641829802     IErMin= 8 ErrMin= 3.52D-07
 ErrMax= 3.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-10 BMatP= 2.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-04-0.500D-03 0.419D-04-0.380D-02-0.784D-03 0.559D-01
 Coeff-Com:  0.234D+00 0.715D+00
 Coeff:      0.186D-04-0.500D-03 0.419D-04-0.380D-02-0.784D-03 0.559D-01
 Coeff:      0.234D+00 0.715D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.16D-07 MaxDP=7.31D-06 DE=-1.88D-09 OVMax= 2.58D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.09D-08    CP:  9.90D-01  1.03D+00  9.83D-01  1.17D+00  7.90D-01
                    CP:  1.01D+00  9.39D-01  9.29D-01
 E= -687.347641829980     Delta-E=       -0.000000000178 Rises=F Damp=F
 DIIS: error= 7.03D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.347641829980     IErMin= 9 ErrMin= 7.03D-08
 ErrMax= 7.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-12 BMatP= 1.82D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.438D-05-0.350D-04 0.134D-03-0.268D-02-0.297D-02 0.887D-02
 Coeff-Com:  0.809D-01 0.319D+00 0.597D+00
 Coeff:      0.438D-05-0.350D-04 0.134D-03-0.268D-02-0.297D-02 0.887D-02
 Coeff:      0.809D-01 0.319D+00 0.597D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=3.96D-08 MaxDP=3.50D-06 DE=-1.78D-10 OVMax= 5.77D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.69D-08    CP:  9.90D-01  1.03D+00  9.83D-01  1.17D+00  7.90D-01
                    CP:  1.01D+00  9.51D-01  9.22D-01  8.50D-01
 E= -687.347641829959     Delta-E=        0.000000000021 Rises=F Damp=F
 DIIS: error= 1.56D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -687.347641829980     IErMin=10 ErrMin= 1.56D-08
 ErrMax= 1.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-13 BMatP= 9.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.471D-06 0.233D-04 0.496D-04-0.838D-03-0.110D-02-0.891D-03
 Coeff-Com:  0.135D-01 0.717D-01 0.255D+00 0.662D+00
 Coeff:      0.471D-06 0.233D-04 0.496D-04-0.838D-03-0.110D-02-0.891D-03
 Coeff:      0.135D-01 0.717D-01 0.255D+00 0.662D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=1.13D-06 DE= 2.11D-11 OVMax= 1.38D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.31D-09    CP:  9.90D-01  1.03D+00  9.83D-01  1.17D+00  7.91D-01
                    CP:  1.01D+00  9.50D-01  9.29D-01  8.78D-01  8.87D-01
 E= -687.347641829939     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 3.79D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -687.347641829980     IErMin=11 ErrMin= 3.79D-09
 ErrMax= 3.79D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.62D-14 BMatP= 6.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.804D-07 0.119D-04 0.109D-04-0.185D-03-0.246D-03-0.936D-03
 Coeff-Com:  0.599D-04 0.847D-02 0.645D-01 0.250D+00 0.678D+00
 Coeff:     -0.804D-07 0.119D-04 0.109D-04-0.185D-03-0.246D-03-0.936D-03
 Coeff:      0.599D-04 0.847D-02 0.645D-01 0.250D+00 0.678D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=2.70D-09 MaxDP=2.54D-07 DE= 2.00D-11 OVMax= 3.32D-08

 Error on total polarization charges =  0.01553
 SCF Done:  E(RB3LYP) =  -687.347641830     A.U. after   11 cycles
            NFock= 11  Conv=0.27D-08     -V/T= 2.0057
 KE= 6.834223062320D+02 PE=-3.264222163016D+03 EE= 1.067433217152D+03
 Leave Link  502 at Wed Mar 16 19:18:18 2022, MaxMem=  5368709120 cpu:            2092.3 elap:             262.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.68528372D+02

 Leave Link  801 at Wed Mar 16 19:18:18 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8629248.
 Iteration    1 A*A^-1 deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.22D-15 for   1695   1062.
 Iteration    1 A^-1*A deviation from unit magnitude is 3.11D-15 for   1682.
 Iteration    1 A^-1*A deviation from orthogonality  is 2.20D-15 for   1655   1386.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.80D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 2.17D-01 5.52D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.86D-02 3.61D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.64D-03 9.73D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 6.24D-04 2.98D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 3.51D-05 5.16D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 8.28D-07 7.70D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 2.25D-08 1.37D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 4.57D-10 2.59D-06.
      9 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 8.55D-12 3.31D-07.
      2 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 8.28D-14 2.75D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.124305D+03
      2  0.163928D+01  0.119383D+03
      3  0.248632D+00 -0.175408D+00  0.997468D+02
 Isotropic polarizability for W=    0.088559      114.48 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.313374D+02 -0.174524D+02 -0.959894D+01
      2  -0.264575D+02  0.192589D+02  0.568755D+01
      3  -0.487989D+01 -0.180651D+01  0.391139D+01
      4   0.540850D+00 -0.731164D+01 -0.451162D-01
      5  -0.532358D+01  0.101251D+01  0.130799D+02
      6  -0.550851D+01  0.573731D+01  0.594841D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.101764D+01 -0.358462D+01 -0.379684D+01
      2  -0.316397D+01  0.133647D+01  0.726774D+01
      3   0.117708D+02 -0.127958D+02 -0.350361D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.105763D+01  0.497628D-01 -0.775493D+01
      2  -0.427536D+01  0.546339D+01  0.179598D+02
      3   0.179933D+02 -0.191459D+02 -0.652102D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.819162D+00  0.115895D+01 -0.713703D+00
      2   0.115895D+01  0.122861D+00  0.123375D+01
      3  -0.713703D+00  0.123375D+01 -0.453201D+00
 OR G Eigenvalues:    -2.4648     0.0657     1.2496  Iso=     0.3832
 Eigenvectors:
   (1)   0.625984  -0.545892   0.556908
   (2)   0.719722   0.129470  -0.682083
   (3)   0.300240   0.827792   0.473937
 w=    0.088559 a.u., Optical Rotation Beta=      0.3832 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      107.85 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.60D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     196
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.49D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.82D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 7.76D-02 2.49D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.59D-03 4.98D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 1.47D-05 3.91D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.60D-07 3.12D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.11D-09 3.50D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 4.38D-12 1.48D-07.
      7 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.09D-14 8.36D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.40D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.40D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.35D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124305D+03  0.163928D+01  0.248632D+00
      2   0.163928D+01  0.119383D+03 -0.175408D+00
      3   0.248632D+00 -0.175408D+00  0.997468D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.101764D+01 -0.358462D+01 -0.379684D+01
      2  -0.316397D+01  0.133647D+01  0.726774D+01
      3   0.117708D+02 -0.127958D+02 -0.350361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.313374D+02 -0.174524D+02 -0.959894D+01
      2  -0.264575D+02  0.192589D+02  0.568755D+01
      3  -0.487989D+01 -0.180651D+01  0.391139D+01
      4   0.540850D+00 -0.731164D+01 -0.451162D-01
      5  -0.532358D+01  0.101251D+01  0.130799D+02
      6  -0.550851D+01  0.573731D+01  0.594841D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295527D+01 -0.294062D+01 -0.132347D+01 -0.327637D+01  0.346658D+01
      2  -0.294062D+01  0.416185D+01  0.276549D+00  0.346658D+01  0.225478D+00
      3  -0.132347D+01  0.276549D+00 -0.136066D+01  0.420456D+00 -0.119658D+01
                 6             7             8             9            10 
      1   0.420456D+00 -0.175606D+01  0.845666D+00  0.102416D+00  0.452377D+01
      2  -0.119658D+01  0.845666D+00 -0.209758D+01 -0.854242D+00  0.244923D+01
      3   0.979912D+00  0.102416D+00 -0.854242D+00  0.122826D+02  0.165314D+01
                11            12            13            14            15 
      1   0.244923D+01  0.165314D+01  0.245722D+01 -0.304176D+01 -0.228849D+00
      2  -0.227957D+01 -0.168183D-01 -0.304176D+01 -0.168219D+01  0.789830D+00
      3  -0.168183D-01 -0.248529D+01 -0.228849D+00  0.789830D+00  0.642459D+00
                16            17            18            19            20 
      1   0.318031D+01 -0.229336D+00  0.158626D+00  0.261451D+01  0.264221D+01
      2  -0.229336D+00  0.972922D+00  0.612884D+00  0.264221D+01 -0.341383D+01
      3   0.158626D+00  0.612884D+00 -0.123400D+02  0.110742D+01  0.183932D+00
                21            22            23            24            25 
      1   0.110742D+01  0.208674D+01 -0.447662D+01 -0.676143D-01  0.154761D+01
      2   0.183932D+00 -0.447662D+01 -0.254175D+01  0.144883D+01  0.564640D+00
      3   0.626382D+00 -0.676143D-01  0.144883D+01  0.198450D+01 -0.260907D+00
                26            27            28            29            30 
      1   0.564640D+00 -0.260907D+00 -0.233798D+01 -0.226444D+00 -0.120397D+01
      2   0.276089D+01  0.339688D+00 -0.226444D+00  0.394423D+01 -0.373391D+00
      3   0.339688D+00 -0.120104D+02 -0.120397D+01 -0.373391D+00 -0.614815D+00
                31            32            33            34            35 
      1   0.705224D+00  0.524650D+01  0.773954D+00 -0.186451D+01  0.186216D+00
      2   0.524650D+01  0.302337D+01 -0.127739D+01  0.186216D+00 -0.202398D+01
      3   0.773954D+00 -0.127739D+01 -0.122379D+01 -0.615031D+00  0.150135D+00
                36            37            38            39            40 
      1  -0.615031D+00  0.725199D+01 -0.275419D+00  0.815488D+00 -0.174320D+01
      2   0.150135D+00 -0.275419D+00 -0.455016D+00 -0.776629D+00 -0.961751D+00
      3   0.123349D+02  0.815488D+00 -0.776629D+00 -0.450544D+00 -0.455441D+00
                41            42            43            44            45 
      1  -0.961751D+00 -0.455441D+00  0.352509D+01  0.707940D+00  0.545123D+00
      2  -0.542882D+01  0.869544D+00  0.707940D+00  0.226843D+01 -0.760046D+00
      3   0.869544D+00  0.101686D+01  0.545123D+00 -0.760046D+00 -0.223613D+01
                46            47            48            49            50 
      1  -0.439088D+01 -0.359284D+01 -0.745317D+00 -0.191902D+01  0.260599D+01
      2  -0.359284D+01  0.148623D+01  0.114885D+01  0.260599D+01  0.180684D+01
      3  -0.745317D+00  0.114885D+01  0.673325D+00  0.426312D-01 -0.334180D+00
                51            52            53            54            55 
      1   0.426312D-01 -0.273938D+01  0.212761D+00  0.311492D+00  0.399220D+01
      2  -0.334180D+00  0.212761D+00 -0.192075D+01  0.659991D+00  0.254279D+01
      3  -0.323251D+01  0.311492D+00  0.659991D+00  0.119037D+02  0.179221D+01
                56            57            58            59            60 
      1   0.254279D+01  0.179221D+01  0.384385D+01 -0.352765D+01 -0.183934D+00
      2  -0.173074D+01 -0.417145D-01 -0.352765D+01  0.799339D+01  0.131661D+01
      3  -0.417145D-01  0.159414D+01 -0.183934D+00  0.131661D+01 -0.345090D+00
                61            62            63            64            65 
      1   0.353527D+01 -0.129931D+01 -0.885783D+00  0.559867D+00  0.399049D+00
      2  -0.129931D+01  0.271604D+01  0.172464D+01  0.399049D+00 -0.718052D+00
      3  -0.885783D+00  0.172464D+01 -0.112274D+00 -0.105113D+01  0.501126D-01
                66            67            68            69            70 
      1  -0.105113D+01  0.560650D+00 -0.602016D+00  0.804043D-01 -0.221979D+01
      2   0.501126D-01 -0.602016D+00  0.239449D-01 -0.115360D+01  0.166620D+00
      3   0.655846D-01  0.804043D-01 -0.115360D+01  0.406023D+00 -0.504659D+00
                71            72            73            74            75 
      1   0.166620D+00 -0.504659D+00 -0.959042D+01 -0.180837D+00 -0.127080D+01
      2  -0.208013D+01  0.862142D+00 -0.180837D+00  0.100031D+01 -0.239844D+00
      3   0.862142D+00 -0.991244D+01 -0.127080D+01 -0.239844D+00  0.137317D+01
                76            77            78            79            80 
      1   0.345390D+01  0.106704D+01  0.132086D+00 -0.351458D+01 -0.745642D+00
      2   0.106704D+01  0.533985D+01 -0.121943D+01 -0.745642D+00 -0.167338D+01
      3   0.132086D+00 -0.121943D+01  0.136931D+01 -0.176534D+01 -0.242637D+00
                81            82            83            84            85 
      1  -0.176534D+01 -0.772672D+00 -0.386809D+00  0.112771D+01 -0.464387D+00
      2  -0.242637D+00 -0.386809D+00  0.523668D+00  0.329681D-01  0.479436D+00
      3   0.917833D-01  0.112771D+01  0.329681D-01  0.261802D-01  0.362140D-01
                86            87            88            89            90 
      1   0.479436D+00  0.362140D-01  0.210508D+01  0.224092D+00 -0.640010D+00
      2   0.161720D+00  0.119782D+01  0.224092D+00  0.203346D+01 -0.578380D+00
      3   0.119782D+01 -0.593755D+00 -0.640010D+00 -0.578380D+00  0.100325D+02
                91            92            93            94            95 
      1  -0.195366D+00 -0.537555D+00  0.109967D+01 -0.362706D+00  0.694342D+00
      2  -0.537555D+00  0.634290D+00  0.461477D-01  0.694342D+00  0.495462D+00
      3   0.109967D+01  0.461477D-01  0.874035D-01  0.944990D-01  0.114326D+01
                96            97            98            99           100 
      1   0.944990D-01  0.213710D+01 -0.955096D-01  0.364378D+00  0.477600D+01
      2   0.114326D+01 -0.955096D-01  0.215698D+01  0.512210D+00  0.728342D+00
      3  -0.104198D-01  0.364378D+00  0.512210D+00  0.100808D+02 -0.114667D+01
               101           102           103           104           105 
      1   0.728342D+00 -0.114667D+01 -0.464809D+00  0.501967D+01  0.172770D+00
      2   0.677286D+01  0.126129D-02  0.501967D+01  0.324816D+01 -0.109096D+01
      3   0.126129D-02  0.458542D+00  0.172770D+00 -0.109096D+01 -0.169707D+01
               106           107           108           109           110 
      1  -0.147995D+01 -0.368472D+00  0.947515D+00  0.306251D+01  0.299854D+00
      2  -0.368472D+00 -0.313539D+01  0.139380D+01  0.299854D+00 -0.301418D+01
      3   0.947515D+00  0.139380D+01  0.213423D+00  0.212922D+01  0.548436D+00
               111           112           113           114           115 
      1   0.212922D+01  0.681993D+00 -0.557024D+01  0.788460D-01  0.300970D+01
      2   0.548436D+00 -0.557024D+01 -0.383836D+01  0.167921D+01 -0.178638D+00
      3   0.188956D+01  0.788460D-01  0.167921D+01 -0.894290D+00 -0.110712D+01
               116           117           118           119           120 
      1  -0.178638D+00 -0.110712D+01  0.123995D+01  0.286221D+00 -0.119810D+01
      2   0.203122D+01 -0.187193D+01  0.286221D+00 -0.410076D+00  0.856071D-01
      3  -0.187193D+01 -0.105280D+02 -0.119810D+01  0.856071D-01  0.909917D+00
               121           122           123           124           125 
      1   0.222909D+00 -0.507040D+00 -0.357929D+00 -0.255207D+01 -0.270234D+00
      2  -0.507040D+00 -0.193306D-01 -0.118169D+01 -0.270234D+00 -0.196057D+01
      3  -0.357929D+00 -0.118169D+01  0.231347D+00  0.138921D+01  0.321789D+00
               126           127           128           129           130 
      1   0.138921D+01 -0.141574D+01 -0.184582D+01  0.352644D+00 -0.190985D+01
      2   0.321789D+00 -0.184582D+01 -0.160002D+01  0.286545D+00 -0.182658D+01
      3  -0.997099D+01  0.352644D+00  0.286545D+00 -0.405889D+00 -0.108555D+00
               131           132           133           134           135 
      1  -0.182658D+01 -0.108555D+00 -0.287774D+00 -0.788148D-01 -0.376349D+00
      2  -0.101659D+02 -0.285635D+00 -0.788148D-01 -0.213505D+01  0.780249D+00
      3  -0.285635D+00  0.182028D+01 -0.376349D+00  0.780249D+00 -0.702051D+01
               136           137           138           139           140 
      1   0.190256D+00  0.130643D+00 -0.132710D+01  0.129984D+00 -0.545900D+00
      2   0.130643D+00 -0.331554D+00 -0.259596D+00 -0.545900D+00 -0.116750D+01
      3  -0.132710D+01 -0.259596D+00 -0.168863D+00 -0.175711D-01 -0.115811D+01
               141           142           143           144           145 
      1  -0.175711D-01 -0.217369D+01 -0.588253D+00 -0.618351D+00 -0.101833D+02
      2  -0.115811D+01 -0.588253D+00 -0.214698D+01 -0.191170D+01  0.189036D+01
      3  -0.339682D+00 -0.618351D+00 -0.191170D+01 -0.101022D+02 -0.659169D+00
               146           147           148           149           150 
      1   0.189036D+01 -0.659169D+00 -0.766482D-01 -0.640304D+00 -0.762546D-01
      2  -0.245989D+01 -0.118036D+00 -0.640304D+00  0.157465D+00 -0.227303D+00
      3  -0.118036D+00 -0.178598D+01 -0.762546D-01 -0.227303D+00  0.233364D+00
               151           152           153           154           155 
      1  -0.197442D+01  0.269605D+00 -0.873773D+00 -0.293115D+01 -0.220402D+01
      2   0.269605D+00 -0.614025D+00  0.303061D+00 -0.220402D+01 -0.271071D+01
      3  -0.873773D+00  0.303061D+00 -0.137940D+00  0.115317D+00 -0.557666D-03
               156           157           158           159           160 
      1   0.115317D+00 -0.509163D+01 -0.353598D+01 -0.158433D+00  0.749911D+00
      2  -0.557666D-03 -0.353598D+01 -0.681548D+01  0.329993D+00  0.403809D+00
      3  -0.934301D+00 -0.158433D+00  0.329993D+00 -0.142843D+01 -0.608906D+00
               161           162           163           164           165 
      1   0.403809D+00 -0.608906D+00 -0.248892D+01  0.158125D+01  0.317020D+00
      2   0.866943D+00 -0.496263D+00  0.158125D+01 -0.460491D+01 -0.340362D-01
      3  -0.496263D+00 -0.676702D-02  0.317020D+00 -0.340362D-01 -0.676859D+00
               166           167           168           169           170 
      1   0.229343D+01 -0.172285D+01 -0.164323D+00  0.489198D+00 -0.257576D+00
      2  -0.172285D+01  0.787253D+01  0.169516D+00 -0.257576D+00  0.935957D+00
      3  -0.164323D+00  0.169516D+00  0.154971D+01 -0.127879D+00  0.722933D+00
               171           172           173           174           175 
      1  -0.127879D+00  0.878894D+01 -0.271412D+01 -0.153347D+01 -0.106256D+01
      2   0.722933D+00 -0.271412D+01  0.398369D+01 -0.159627D+00  0.433631D+01
      3  -0.938128D-01 -0.153347D+01 -0.159627D+00  0.912315D-01 -0.211516D-01
               176           177           178           179           180 
      1   0.433631D+01 -0.211516D-01 -0.279910D+01  0.766783D+00  0.200247D+01
      2   0.229155D+01 -0.823692D+00  0.766783D+00 -0.174641D+01 -0.710325D+00
      3  -0.823692D+00  0.145716D+01  0.200247D+01 -0.710325D+00 -0.422427D+00
               181           182           183           184           185 
      1  -0.498282D+00  0.341026D+00  0.115608D+01 -0.349786D+00  0.841160D+00
      2   0.341026D+00  0.323888D+00 -0.150160D+00  0.841160D+00  0.549329D+00
      3   0.115608D+01 -0.150160D+00 -0.467196D+00 -0.163870D-01  0.105426D+01
               186           187           188           189           190 
      1  -0.163870D-01  0.263181D+01 -0.220064D+00  0.156338D+01  0.300471D+01
      2   0.105426D+01 -0.220064D+00  0.181979D+01  0.142087D+01  0.248865D+01
      3  -0.163183D+00  0.156338D+01  0.142087D+01  0.105640D+02 -0.854218D+00
               191           192           193           194           195 
      1   0.248865D+01 -0.854218D+00  0.382772D+01  0.331842D+01 -0.279314D+00
      2   0.266688D+01 -0.279291D+00  0.331842D+01  0.688369D+01 -0.105973D+01
      3  -0.279291D+00  0.694373D+00 -0.279314D+00 -0.105973D+01  0.109897D+01
               196           197           198           199           200 
      1  -0.191493D+01 -0.527600D+00  0.986226D+00 -0.385520D-01 -0.333733D+00
      2  -0.527600D+00 -0.195912D+01  0.118641D+01 -0.333733D+00  0.259492D+00
      3   0.986226D+00  0.118641D+01 -0.842061D-01  0.413411D+00 -0.291789D+00
               201           202           203           204           205 
      1   0.413411D+00 -0.498522D+00 -0.366218D-01  0.640519D-01  0.176911D+01
      2  -0.291789D+00 -0.366218D-01 -0.141998D+01  0.791561D+00  0.360730D+00
      3   0.872492D+00  0.640519D-01  0.791561D+00 -0.110165D+01 -0.984301D-01
               206           207           208           209           210 
      1   0.360730D+00 -0.984301D-01 -0.220619D+01 -0.541391D+00  0.234083D+00
      2   0.397093D+01 -0.303166D+01 -0.541391D+00 -0.202885D+01  0.810861D-01
      3  -0.303166D+01  0.741620D+01  0.234083D+00  0.810861D-01 -0.119025D-01
               211           212           213           214           215 
      1  -0.304413D+01 -0.801205D-01  0.239844D+00  0.596061D+00  0.150588D+00
      2  -0.801205D-01 -0.699344D+01  0.217870D+00  0.150588D+00  0.959810D+00
      3   0.239844D+00  0.217870D+00 -0.176002D+01  0.111707D+00 -0.533620D+00
               216 
      1   0.111707D+00
      2  -0.533620D+00
      3   0.582181D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139512D+01  0.271517D+00 -0.115606D+01 -0.194718D+01  0.681760D+00
      2   0.174488D+01 -0.420762D+00  0.306433D+00 -0.281401D+00  0.260589D+01
      3  -0.385872D+01 -0.150717D+01 -0.132225D+01  0.352738D+01  0.213278D+01
                 6             7             8             9            10 
      1   0.114958D+00 -0.101749D+00  0.408881D+01 -0.970189D+01  0.885466D+00
      2   0.673240D+00 -0.280262D+01  0.488201D+00 -0.112144D+02 -0.218355D+01
      3  -0.283131D+00  0.252766D+00 -0.204240D+01 -0.800477D+00  0.859197D+00
                11            12            13            14            15 
      1  -0.125322D+01 -0.138647D+00  0.506047D+00 -0.153848D+01 -0.124571D+01
      2  -0.152792D+01  0.144237D+01 -0.115465D+00 -0.275665D+01 -0.253199D+01
      3  -0.667202D+01 -0.876070D+00 -0.563712D+00 -0.387551D+00  0.232901D+01
                16            17            18            19            20 
      1  -0.957050D+00  0.257505D+01 -0.575458D+01 -0.100705D+01 -0.366313D+00
      2  -0.349095D+01 -0.143537D+01  0.147309D+02 -0.128553D+01  0.394402D+00
      3  -0.203385D+01  0.183067D+01  0.962383D+00  0.176681D+01  0.844819D+00
                21            22            23            24            25 
      1   0.101964D+01 -0.327936D+00 -0.224150D+01  0.778524D-01  0.140080D+01
      2   0.136393D+01 -0.116401D+01  0.413408D+00 -0.437235D+00 -0.324534D+01
      3   0.147844D+01  0.647694D+01 -0.513525D+01 -0.156519D+01  0.159844D+01
                26            27            28            29            30 
      1   0.263946D+01  0.116517D+02  0.931823D+00 -0.331153D+00  0.194504D+01
      2  -0.143020D+00 -0.271915D+01 -0.238477D+01 -0.609940D+00 -0.795159D+00
      3   0.566827D+00 -0.729914D+00 -0.617054D+01 -0.101285D+02 -0.458365D+00
                31            32            33            34            35 
      1  -0.121235D+01  0.158059D+01  0.279058D+01  0.204218D+01  0.312730D+01
      2  -0.102829D+01 -0.177560D+01 -0.301916D+01 -0.485692D+01  0.213769D+01
      3  -0.821527D+01 -0.289436D+01  0.249175D+01 -0.124769D+00  0.124059D+01
                36            37            38            39            40 
      1  -0.473547D+01  0.119121D+01  0.378809D+00 -0.384531D+01  0.930304D+00
      2   0.190898D+02  0.901836D+00  0.437508D+00  0.111653D+02  0.215270D+00
      3  -0.607617D+00 -0.978557D+01 -0.837826D+01 -0.984931D+00  0.135014D+02
                41            42            43            44            45 
      1   0.600907D+00 -0.771045D+01  0.280708D+01  0.546746D+01 -0.133350D+00
      2   0.136172D+01  0.315996D+01 -0.654875D+01 -0.278879D+01  0.799658D+00
      3   0.607274D+01 -0.100354D+01 -0.412562D+01 -0.257081D+01 -0.371670D+00
                46            47            48            49            50 
      1  -0.905144D+00  0.143654D+00  0.264798D+01 -0.580028D+00 -0.130638D+01
      2   0.144970D+01  0.212496D+00 -0.717794D+01 -0.463876D+00  0.153232D+01
      3   0.355605D+01  0.710283D+01  0.143168D+01  0.380699D+01  0.188334D+01
                51            52            53            54            55 
      1  -0.790570D+00 -0.125851D+01  0.306867D+01  0.155081D+02 -0.343201D+01
      2   0.457861D+00 -0.401867D+01 -0.238600D+01 -0.117779D+02 -0.719948D+01
      3  -0.152432D+01  0.364288D+01 -0.182368D+01  0.189456D-01  0.166037D+02
                56            57            58            59            60 
      1  -0.780083D-01  0.301991D+00  0.151468D+01 -0.229953D+01 -0.649968D+01
      2   0.195803D+01  0.172186D+01  0.211666D+00 -0.213909D+01 -0.282159D+01
      3  -0.226031D+01  0.281967D+01  0.919551D+01  0.984101D+01  0.114776D+01
                61            62            63            64            65 
      1   0.657873D+00  0.150277D+01 -0.219845D+01  0.769739D+00 -0.489270D-01
      2  -0.455433D+01 -0.182283D+01 -0.221714D+01  0.161663D+01 -0.237477D+00
      3   0.605076D+01  0.415429D+01  0.148759D+01  0.899550D+00 -0.152715D+01
                66            67            68            69            70 
      1  -0.607335D+00 -0.515946D-01  0.150102D+01 -0.109618D+01 -0.398167D-01
      2   0.108080D+01 -0.298988D-01  0.817055D+00  0.247063D+00 -0.450527D+01
      3  -0.824357D+00  0.112018D+01 -0.530534D+00 -0.113068D+01 -0.235327D+01
                71            72            73            74            75 
      1   0.427361D+01  0.920847D+01 -0.165672D+01 -0.594553D+00 -0.233057D+00
      2  -0.443308D+00  0.106022D+02  0.384632D+01  0.207842D+01  0.667656D+01
      3  -0.208719D+01  0.646337D+00  0.832266D+01 -0.412058D+01  0.203047D+00
                76            77            78            79            80 
      1  -0.271800D+01 -0.314646D+01 -0.125436D+01  0.431883D+00  0.471484D+01
      2   0.992684D+00  0.399622D+01 -0.267269D+01 -0.542827D+00 -0.163745D+00
      3   0.551249D+01  0.207090D+02 -0.245743D+01  0.153990D+01 -0.587466D+01
                81            82            83            84            85 
      1  -0.578545D+00  0.363588D+00  0.481975D+00  0.493682D+00  0.593571D+00
      2   0.259814D+01 -0.192948D+01  0.631128D-02  0.582348D+00  0.332922D+00
      3   0.614039D+00 -0.665163D-01 -0.188277D+00 -0.313644D+00  0.193972D+01
                86            87            88            89            90 
      1   0.683523D+00 -0.198965D+01  0.969643D-01  0.464483D+01  0.386179D+01
      2  -0.180730D+01  0.412494D+00 -0.407811D+01  0.649149D+00 -0.145684D+02
      3   0.328806D+00  0.137309D+01 -0.632332D+00  0.313251D+01  0.881984D-02
                91            92            93            94            95 
      1  -0.172429D+01  0.112790D+00  0.240557D+00 -0.145068D+00 -0.141549D+01
      2   0.446960D+00  0.686823D+00  0.913932D+00  0.638756D+00  0.258315D+00
      3   0.302410D-01 -0.184446D+01  0.129189D+01  0.611221D+00  0.531136D+00
                96            97            98            99           100 
      1  -0.725040D+00 -0.465654D+00  0.425707D+01 -0.116863D+02  0.271559D+01
      2  -0.364185D+00 -0.537463D+01  0.167950D+00  0.234880D+01  0.982613D-01
      3  -0.166801D+00  0.277272D+01 -0.103210D+01  0.152535D+00  0.153198D+02
               101           102           103           104           105 
      1  -0.113368D+01 -0.422056D+01 -0.771419D+00  0.508658D+01 -0.452915D+01
      2  -0.164098D+01  0.402620D+01  0.604156D+00  0.543574D+00  0.180852D+01
      3  -0.118020D+02 -0.205005D+01 -0.550012D+00  0.990857D+01  0.141998D+01
               106           107           108           109           110 
      1  -0.243087D+01  0.232512D+01  0.232868D+01 -0.208205D+01 -0.150192D+01
      2  -0.306199D+01  0.118800D+01 -0.550168D+00  0.455040D+01  0.163811D+01
      3  -0.501734D+01  0.156741D+01  0.104340D+01  0.384839D+01  0.758923D+01
               111           112           113           114           115 
      1  -0.298497D+01 -0.302538D+01 -0.397466D+01  0.123294D+01  0.307355D+00
      2   0.259177D+01  0.226301D+01  0.616749D+01  0.351099D+00 -0.727479D+01
      3  -0.854730D+00  0.177193D+02  0.669865D+01 -0.456311D+01  0.736214D+00
               116           117           118           119           120 
      1   0.218747D+01  0.598300D+01  0.356593D+00  0.468697D+00  0.410316D+00
      2  -0.483533D+01 -0.256346D+02 -0.133383D+01  0.297132D+00  0.249739D+01
      3  -0.587745D+01  0.473524D+01 -0.104110D+00  0.212138D+00 -0.549677D+00
               121           122           123           124           125 
      1   0.204034D+00  0.116268D+00 -0.943930D+00 -0.176506D+00  0.461107D+01
      2  -0.517994D+00 -0.186784D+01  0.426782D+00 -0.395803D+01  0.119862D+00
      3   0.287450D+01 -0.793456D+00  0.176164D+01 -0.306736D+00  0.346933D+01
               126           127           128           129           130 
      1   0.299185D+01  0.415746D+00  0.133369D+00 -0.240429D+01  0.157838D+00
      2  -0.138274D+02 -0.113343D-01 -0.196479D+01  0.582123D+01  0.490429D+00
      3  -0.125243D+01  0.299554D+01 -0.287437D+01  0.727627D+00  0.109557D+02
               131           132           133           134           135 
      1   0.463704D+00 -0.511413D+01  0.996957D-02  0.651732D+01 -0.194914D+02
      2   0.323599D-01 -0.184369D+00 -0.210704D+00 -0.724564D+00  0.592115D+01
      3  -0.525130D+01 -0.584318D-02  0.644268D+00 -0.544363D+00  0.210294D+01
               136           137           138           139           140 
      1  -0.222163D+01 -0.269956D+00 -0.536426D+00  0.328025D+00 -0.123914D+01
      2   0.978447D+00  0.183325D+00  0.117674D+01  0.693355D+00  0.812294D+00
      3   0.348143D-01 -0.201827D+01  0.221921D+01  0.296230D+00  0.377088D+00
               141           142           143           144           145 
      1  -0.104236D+01 -0.323851D+00  0.291484D+01 -0.140850D+02  0.198636D+01
      2  -0.244475D-01 -0.464827D+01  0.116413D+01  0.856371D+01  0.566315D+01
      3  -0.589420D+00  0.373172D+01 -0.526896D+00  0.653629D+00 -0.205341D+02
               146           147           148           149           150 
      1   0.469272D-02  0.318572D+01  0.225673D+00  0.571409D+00 -0.725419D-01
      2  -0.514219D+00  0.547822D+01  0.328614D+00  0.485263D+00 -0.194000D+00
      3  -0.402000D+01 -0.211157D+01 -0.216502D+01 -0.270704D+01 -0.844427D+00
               151           152           153           154           155 
      1   0.173121D+01  0.203609D+00  0.327757D+00  0.987799D+00  0.112042D+01
      2   0.215808D+01 -0.716715D+00  0.828457D+00 -0.899051D+00 -0.708627D+00
      3  -0.454933D+01 -0.148456D+01 -0.126553D+01 -0.482600D+01 -0.650481D+01
               156           157           158           159           160 
      1  -0.128761D+01  0.176196D+01  0.306899D+01 -0.262653D+01 -0.871032D+00
      2   0.249856D+01 -0.107377D+01 -0.257057D+01  0.461252D+01  0.834960D+00
      3  -0.181899D+00 -0.465636D+01 -0.220995D+02  0.139223D+01  0.817424D-01
               161           162           163           164           165 
      1  -0.452263D-01  0.329948D+00 -0.169815D+01  0.162003D+01  0.282351D+01
      2   0.169294D+01 -0.300340D-01 -0.322419D+00  0.723724D+00 -0.192225D+00
      3   0.315769D+01 -0.972224D+00 -0.123533D+02  0.863810D+01  0.135872D+01
               166           167           168           169           170 
      1   0.134668D+01 -0.239786D+01 -0.475760D+01  0.645679D+00 -0.136287D+01
      2   0.467605D+00 -0.101748D+01 -0.161357D+00 -0.889318D+00  0.117626D+00
      3   0.101873D+02 -0.122658D+02 -0.710427D+00  0.244025D+01 -0.152992D+01
               171           172           173           174           175 
      1  -0.137356D+00 -0.502505D+00 -0.696761D+00  0.412977D+01  0.371514D+00
      2  -0.242625D+00 -0.502862D+01  0.107471D+01  0.779923D+01 -0.146855D+01
      3  -0.909125D+00  0.167391D+01 -0.213066D+02  0.836601D-01 -0.121616D+02
               176           177           178           179           180 
      1  -0.267182D+01 -0.410112D+01 -0.252700D+00  0.485546D+01 -0.211711D+01
      2  -0.284352D+01  0.211625D+00  0.221094D+01 -0.217889D+01 -0.295236D+01
      3  -0.106734D+02  0.304420D+01  0.475244D+00  0.675741D+01  0.200758D+01
               181           182           183           184           185 
      1  -0.313991D+00  0.871767D-01  0.469711D-01  0.501198D+00 -0.233940D+00
      2   0.417992D+01 -0.827936D+00 -0.463032D+00 -0.177649D+00  0.263527D+01
      3  -0.143479D+01 -0.144126D+01  0.849602D+00 -0.110665D+01 -0.102841D+01
               186           187           188           189           190 
      1  -0.284091D+00 -0.116791D+01  0.408198D+01 -0.468881D+01  0.168408D+01
      2  -0.464164D+00 -0.162661D+01  0.431905D+01  0.276602D+02 -0.279934D+01
      3  -0.258825D+01  0.189763D+01 -0.499959D+01 -0.355437D+01 -0.467445D+01
               191           192           193           194           195 
      1   0.959641D+00 -0.151716D+01  0.136571D+01  0.274103D+01 -0.321117D+01
      2  -0.133276D+01  0.335428D+01 -0.136392D+01 -0.411766D+01  0.398406D+01
      3  -0.742238D+01  0.338983D+00 -0.418926D+01 -0.194594D+02  0.305834D+01
               196           197           198           199           200 
      1  -0.956431D+00 -0.170926D+00  0.531294D+00  0.134812D+01 -0.418182D+00
      2   0.194627D+01  0.348878D+01 -0.761777D+00 -0.107013D+01 -0.110749D+00
      3  -0.205529D+00  0.573442D+01 -0.281703D+01 -0.650301D+00  0.560700D+00
               201           202           203           204           205 
      1   0.253493D+01  0.134667D+00  0.274142D+01 -0.285719D+01 -0.363684D+00
      2  -0.964397D+00 -0.585395D+00 -0.114149D+01  0.111346D+01 -0.271734D+01
      3  -0.149361D+01  0.113824D+01 -0.122754D+01  0.658175D+00 -0.464240D+01
               206           207           208           209           210 
      1  -0.634982D+01  0.222753D+02  0.512299D+00  0.909901D+00 -0.848680D+00
      2   0.286440D+01 -0.667387D+01  0.109693D+01  0.117449D+00 -0.103097D+01
      3   0.246422D+01 -0.278892D+01  0.772944D+01  0.937565D+01 -0.694850D+00
               211           212           213           214           215 
      1   0.711162D+00  0.271576D+01 -0.323830D+01  0.530671D-01 -0.434948D+00
      2   0.103175D+01  0.376016D+00 -0.458349D+01 -0.895839D+00 -0.157821D+01
      3   0.689587D+01  0.267895D+02 -0.112101D+01 -0.187337D+01 -0.368178D+01
               216 
      1   0.223754D+00
      2  -0.957350D-01
      3   0.163588D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.686260D+01 -0.207280D+01  0.106342D+00  0.670899D+01 -0.423301D+00
      2  -0.691759D+01  0.126175D+02 -0.207164D+01  0.227669D+01 -0.782057D+01
      3   0.549871D-01 -0.105447D+02  0.196530D+01 -0.898568D+01  0.824387D+01
      4   0.898033D+01 -0.164613D+02 -0.174755D+01 -0.194354D+02  0.120449D+02
      5   0.474257D+01 -0.204892D+01 -0.371958D+01 -0.461100D+01  0.162385D+01
      6  -0.133603D+01  0.383044D+01  0.374440D+01  0.362862D+01 -0.428972D+01
                 6             7             8             9            10 
      1   0.111070D+01  0.427861D+01  0.456902D+00  0.109406D+02 -0.262211D+02
      2   0.457179D+00  0.118697D+01 -0.725643D+01  0.865309D+01  0.132570D+02
      3  -0.156788D+01 -0.546558D+01  0.679953D+01 -0.195937D+02  0.129642D+02
      4   0.259789D+01 -0.473518D+01  0.829916D+01  0.200522D+01 -0.853908D+01
      5   0.317360D+01  0.430032D-01  0.273533D+01 -0.269918D+02 -0.835823D+01
      6  -0.677411D+01  0.163691D+01 -0.144342D+01  0.245771D+02 -0.128958D+01
                11            12            13            14            15 
      1  -0.850283D+01 -0.147813D+01 -0.127049D+02  0.819142D+01  0.156901D+01
      2   0.388844D+01  0.528881D+01  0.780098D+01 -0.250109D+01 -0.308496D+00
      3   0.461439D+01 -0.381068D+01  0.490391D+01 -0.569034D+01 -0.126051D+01
      4  -0.381044D+01 -0.592714D+00  0.683866D+01  0.182759D+01 -0.130251D+01
      5  -0.155270D+01 -0.314970D+01 -0.491917D+00 -0.324633D+00 -0.580710D+01
      6  -0.277318D+01 -0.546190D-01 -0.104348D+01 -0.113120D+01 -0.115100D+01
                16            17            18            19            20 
      1  -0.146911D+02 -0.195351D+01  0.114467D+02 -0.106260D+02  0.917951D+01
      2   0.734537D+01 -0.103072D+01  0.871889D+01  0.799267D+01 -0.152487D+02
      3   0.734577D+01  0.298423D+01 -0.201656D+02  0.263334D+01  0.606924D+01
      4  -0.142058D+01 -0.170248D+01 -0.180999D+01  0.161924D+01 -0.389580D+01
      5  -0.732976D+00 -0.263707D+01  0.370714D+02  0.195383D+01  0.154706D+01
      6   0.515999D-01 -0.474403D+00  0.138277D+02  0.975498D+00  0.175975D+01
                21            22            23            24            25 
      1  -0.104038D+01  0.617898D+01  0.596351D+01 -0.459393D+01 -0.140760D+01
      2  -0.157447D+01 -0.125465D+02 -0.144632D+02  0.457905D+00  0.457372D+01
      3   0.261485D+01  0.636752D+01  0.849964D+01  0.413602D+01 -0.316613D+01
      4   0.126197D+01 -0.833194D+01 -0.134520D+02 -0.538754D+00  0.396711D+01
      5  -0.273644D+01  0.235613D+01  0.145245D+01 -0.135919D+01  0.691877D+00
      6  -0.256286D+01 -0.495238D+00  0.591551D+01 -0.573448D+01 -0.132834D+01
                26            27            28            29            30 
      1  -0.370483D+01  0.987366D+01 -0.120515D+02 -0.129726D+01 -0.526177D+01
      2   0.989870D+01  0.119399D+02  0.471350D+01  0.133146D+00  0.225048D+01
      3  -0.619387D+01 -0.218135D+02  0.733803D+01  0.116411D+01  0.301129D+01
      4   0.366171D+01 -0.445379D+00 -0.908861D+01 -0.113774D+01 -0.267314D+01
      5  -0.163369D+00 -0.657107D+01 -0.615845D+01 -0.153870D+01 -0.748842D+01
      6   0.101763D+01 -0.294045D+02 -0.301062D+01  0.114503D+00 -0.413736D+01
                31            32            33            34            35 
      1  -0.234223D+00  0.204956D+02 -0.475189D-01 -0.444597D+01 -0.413806D+00
      2   0.143969D+01 -0.206418D+02 -0.347764D+01 -0.178156D+01 -0.263613D+01
      3  -0.120547D+01  0.146154D+00  0.352516D+01  0.622754D+01  0.304994D+01
      4  -0.623445D+01  0.763763D+00 -0.277357D+01  0.145355D+01 -0.153169D+01
      5   0.253619D+01 -0.205739D+01 -0.826090D+01 -0.375172D+01  0.652793D+00
      6  -0.123935D+00  0.101451D+01 -0.887210D+01 -0.214952D+01 -0.929775D+00
                36            37            38            39            40 
      1   0.100276D+02  0.211236D+02 -0.408121D+01 -0.126433D+01 -0.102997D+01
      2   0.106967D+02 -0.144204D+02  0.439186D+01 -0.150360D+01  0.328664D+00
      3  -0.207243D+02 -0.670323D+01 -0.310655D+00  0.276793D+01  0.701308D+00
      4   0.118608D+01 -0.732845D+01  0.157016D+02 -0.163337D+01  0.159339D+02
      5   0.378624D+02  0.226578D+01 -0.744151D-01  0.205388D+02 -0.210192D+01
      6   0.625593D+01 -0.625105D+00  0.272450D+01  0.907451D+01  0.174123D+00
                41            42            43            44            45 
      1  -0.160424D+02  0.345400D+01  0.626992D+01  0.417064D+01 -0.728134D+01
      2   0.224211D+02  0.107124D+00 -0.600238D+01 -0.414854D+01 -0.589078D+01
      3  -0.637870D+01 -0.356112D+01 -0.267547D+00 -0.221067D-01  0.131721D+02
      4  -0.763826D+00  0.153086D+01 -0.481515D+01  0.232600D+01 -0.246298D+01
      5   0.547715D+00  0.825895D+01  0.786667D+01  0.263328D-01  0.850313D+00
      6  -0.365093D+01  0.136030D+02 -0.353907D+00  0.776372D+01  0.133003D+01
                46            47            48            49            50 
      1  -0.208542D+02  0.103316D+02  0.638104D+01 -0.228153D+01  0.103730D+02
      2   0.192862D+02 -0.125629D+02 -0.136624D+01 -0.358836D+01 -0.256233D+02
      3   0.156807D+01  0.223128D+01 -0.501480D+01  0.586988D+01  0.152503D+02
      4   0.466558D+01 -0.106057D+02  0.604003D+00 -0.141121D+02 -0.133254D+02
      5   0.168312D+00 -0.139507D+00 -0.162430D+02  0.191635D+01  0.931494D+00
      6  -0.171310D+00 -0.345299D+01 -0.744961D+01  0.101900D+01  0.178373D+01
                51            52            53            54            55 
      1  -0.609650D+00  0.268670D+01 -0.120016D+01  0.130915D+02 -0.244535D+02
      2   0.134654D+00  0.650713D+00  0.109093D+02  0.119351D+02  0.186793D+02
      3   0.474996D+00 -0.333741D+01 -0.970916D+01 -0.250266D+02  0.577418D+01
      4   0.208561D+01  0.405748D+01 -0.213536D+00 -0.593272D+00  0.532795D+01
      5   0.510203D+00 -0.400311D+01 -0.266107D+01 -0.202896D+02 -0.876408D+01
      6  -0.552650D+01 -0.174332D+01 -0.409740D+01 -0.374279D+02  0.811673D+01
                56            57            58            59            60 
      1  -0.125560D+01 -0.603476D+01 -0.703908D+01 -0.114651D+02 -0.485474D+01
      2  -0.564489D+01  0.545491D+01 -0.467173D+01  0.313682D+02  0.256427D+01
      3   0.690049D+01  0.579848D+00  0.117108D+02 -0.199031D+02  0.229047D+01
      4   0.211295D+02  0.581599D+01  0.306183D+02 -0.375617D+02 -0.534377D+01
      5   0.199720D+01  0.651106D+01  0.261492D+01 -0.552540D+01 -0.513718D+01
      6  -0.254048D+01 -0.846390D+00 -0.277527D+01  0.799562D+01  0.131565D+02
                61            62            63            64            65 
      1  -0.117398D+02 -0.279178D+01 -0.695153D+01 -0.371045D+00 -0.505087D+00
      2   0.461786D+01  0.821093D+01 -0.768539D+00 -0.258496D+01 -0.756226D+00
      3   0.712190D+01 -0.541916D+01  0.772007D+01  0.295601D+01  0.126131D+01
      4   0.150304D+02 -0.130841D+02 -0.737429D+01 -0.575434D+00  0.414429D+01
      5   0.891350D+01 -0.803683D+01 -0.503221D+01  0.295655D+01 -0.507876D+00
      6  -0.460777D+01  0.133557D+02  0.445394D+01 -0.236181D+01 -0.596600D+00
                66            67            68            69            70 
      1   0.311337D+01 -0.344811D+00 -0.301672D+01  0.232146D+01  0.398484D+01
      2  -0.167359D+01 -0.821324D+00  0.852922D+00 -0.287308D+01 -0.267770D+01
      3  -0.143977D+01  0.116613D+01  0.216380D+01  0.551619D+00 -0.130715D+01
      4  -0.243058D+01  0.387647D+01 -0.136979D+01  0.280342D+01 -0.464243D+01
      5   0.748682D+01  0.260369D+00  0.256150D+01 -0.975249D-01  0.615300D+01
      6   0.101429D+01  0.225752D+00 -0.332579D+01  0.823610D+01 -0.136565D+01
                71            72            73            74            75 
      1   0.346327D+01 -0.184113D+02  0.650241D+02  0.334923D+00  0.436009D+01
      2  -0.318961D+01 -0.169749D+02 -0.405316D+02 -0.211579D+01 -0.642952D+01
      3  -0.273661D+00  0.353862D+02 -0.244924D+02  0.178087D+01  0.206944D+01
      4   0.503266D+01 -0.161539D+01  0.477981D+01  0.400563D+01  0.206157D+01
      5  -0.196746D+01  0.238917D+02  0.108673D+02  0.197457D+01  0.131399D+02
      6   0.666718D+01 -0.225296D+02  0.138954D+01  0.133872D+01  0.241762D+00
                76            77            78            79            80 
      1  -0.149836D+02 -0.603978D+01 -0.180761D+01  0.181742D+02  0.222914D+01
      2   0.528375D+01 -0.991338D+00  0.198794D+01 -0.114874D+02  0.812107D+00
      3   0.969984D+01  0.703112D+01 -0.180336D+00 -0.668682D+01 -0.304124D+01
      4  -0.838239D+01 -0.306091D+02  0.545600D+01  0.650597D+01  0.944560D+01
      5   0.354236D+00  0.646237D+01 -0.404191D+01  0.175682D+02  0.134538D+01
      6  -0.105326D+00  0.101872D+01  0.453494D+01  0.253887D+01  0.473358D+01
                81            82            83            84            85 
      1   0.404013D+01  0.286225D+01  0.148062D+01 -0.493327D+01  0.159797D+01
      2  -0.110869D+02 -0.456555D+01 -0.974624D+00  0.257989D+01 -0.942824D+00
      3   0.704677D+01  0.170330D+01 -0.505998D+00  0.235338D+01 -0.655141D+00
      4   0.148978D+01  0.133320D+01  0.912881D+00 -0.776152D+00  0.126261D+01
      5   0.549788D+01 -0.382928D+01 -0.205094D+00  0.677065D+01  0.117930D+00
      6   0.167125D+01 -0.804269D+00  0.367253D+00 -0.714980D+00 -0.695327D+00
                86            87            88            89            90 
      1  -0.509470D+01  0.166339D+01 -0.705219D+01  0.118019D+01 -0.184385D+02
      2   0.100968D+01 -0.119784D+01  0.522924D+01 -0.972096D+00 -0.177058D+02
      3   0.408502D+01 -0.465559D+00  0.182295D+01 -0.208096D+00  0.361444D+02
      4   0.419597D-01 -0.395844D+01 -0.258027D+01 -0.565407D+01  0.127859D+01
      5  -0.426838D+01  0.102373D+01  0.705778D+01  0.213234D+01 -0.332655D+02
      6  -0.187597D+01  0.950035D+01  0.481420D+00  0.615777D+01 -0.992105D+01
                91            92            93            94            95 
      1   0.199497D+01 -0.139596D+01  0.111471D+01 -0.204851D+01 -0.407449D+01
      2  -0.509651D+01  0.191642D+01 -0.274098D+00  0.238590D+01  0.165533D+01
      3   0.310154D+01 -0.520464D+00 -0.840614D+00 -0.337384D+00  0.241916D+01
      4  -0.555389D+00  0.196683D+01  0.244323D+01  0.236620D+01  0.136222D+01
      5   0.928890D+00  0.300423D+00  0.746748D+01 -0.145158D+00  0.646128D+00
      6   0.316319D+01 -0.138283D+00 -0.362183D+00  0.207621D+00  0.294826D+01
                96            97            98            99           100 
      1  -0.221168D+01  0.100856D+01 -0.507512D+01 -0.197892D+02  0.125239D+02
      2   0.396329D+01 -0.142733D+01  0.642618D+01 -0.183052D+02 -0.637458D+01
      3  -0.175160D+01  0.418765D+00 -0.135106D+01  0.380944D+02 -0.614933D+01
      4   0.948119D+00  0.399018D+01  0.173632D+01  0.377655D+00  0.212227D+02
      5  -0.361293D+00  0.552030D+01  0.241814D+00  0.632401D+01 -0.203287D+01
      6   0.727042D+01  0.100640D+01  0.647543D+01  0.267885D+02 -0.514892D+01
               101           102           103           104           105 
      1  -0.220784D+02  0.141689D+00 -0.129745D+02 -0.719245D+01  0.610822D+01
      2   0.387455D+02  0.195626D+01  0.251476D+02  0.166076D+02 -0.375574D+01
      3  -0.166671D+02 -0.209795D+01 -0.121730D+02 -0.941511D+01 -0.235249D+01
      4   0.145988D+02 -0.425458D+01  0.153482D+02  0.293985D+02 -0.552452D+00
      5  -0.534455D+00  0.877788D+01 -0.884980D+00 -0.310688D+01  0.270518D+01
      6  -0.802065D+00  0.658735D+01  0.536407D+00 -0.808562D+01  0.104060D+02
               106           107           108           109           110 
      1  -0.908910D+00  0.103993D+02 -0.784913D+01  0.352906D+01  0.258967D+01
      2  -0.415375D+00 -0.156591D+02  0.556395D+00 -0.497949D+01 -0.166879D+01
      3   0.132428D+01  0.525976D+01  0.729273D+01  0.145043D+01 -0.920874D+00
      4  -0.724524D+01 -0.452512D+01  0.520043D+01  0.820212D+01 -0.209748D+02
      5   0.632075D+01  0.321399D+01 -0.799201D+00  0.148633D+02  0.280577D+01
      6   0.614226D+01  0.135392D+02 -0.493139D+01  0.366263D+01  0.284687D+01
               111           112           113           114           115 
      1   0.643616D+01  0.157473D+02 -0.259691D+02  0.360102D+01  0.183506D+02
      2  -0.689247D+01 -0.120832D+02  0.588598D+01  0.453872D+01 -0.541432D+01
      3   0.456311D+00 -0.366410D+01  0.200831D+02 -0.813975D+01 -0.129362D+02
      4   0.441861D+01 -0.374403D+02 -0.213335D+02  0.861636D+01 -0.235462D+01
      5   0.370666D+00 -0.103847D+01  0.972160D+01  0.221091D+01 -0.658102D+01
      6   0.649407D+01  0.867558D+00  0.134791D+01 -0.583068D+01 -0.114925D+01
               116           117           118           119           120 
      1   0.150866D+01  0.113706D+02  0.443011D+01  0.114583D+01 -0.299673D+01
      2   0.156836D+01  0.140632D+02 -0.569327D+01 -0.100900D+01  0.192893D+01
      3  -0.307702D+01 -0.254337D+02  0.126315D+01 -0.136833D+00  0.106780D+01
      4   0.122114D+02 -0.127234D+02  0.812792D+00  0.174296D+01  0.590997D+00
      5  -0.101596D+02 -0.506817D+02 -0.349343D+01  0.381425D+00  0.986475D+01
      6  -0.180110D+01 -0.405605D+01 -0.225704D+00 -0.294546D-01 -0.486070D+00
               121           122           123           124           125 
      1   0.144724D+01 -0.551093D+01 -0.101634D+01 -0.619136D+01  0.118128D+01
      2  -0.117674D+01  0.202424D+01  0.119221D+00  0.770219D+01  0.984743D-01
      3  -0.270491D+00  0.348669D+01  0.897121D+00 -0.151083D+01 -0.127975D+01
      4   0.206714D+01  0.431521D+00 -0.248894D+01 -0.694489D+00 -0.362614D+01
      5  -0.818108D+00 -0.357924D+01  0.152958D+01  0.936917D+01  0.113393D+01
      6  -0.677932D+00 -0.396621D+00  0.863419D+01  0.108289D+01  0.567181D+01
               126           127           128           129           130 
      1  -0.182282D+02  0.805920D+01 -0.427016D+01  0.111009D+01 -0.826987D+00
      2  -0.186386D+02  0.207750D+01  0.107961D+02 -0.296729D+00  0.812822D+01
      3   0.368668D+02 -0.101367D+02 -0.652599D+01 -0.813361D+00 -0.730123D+01
      4   0.470466D+00  0.836327D+01  0.193626D+02 -0.111752D+01  0.214797D+02
      5  -0.287424D+02 -0.176963D+01 -0.149857D+01  0.818363D+01 -0.173620D+01
      6  -0.352110D+01 -0.130112D+01 -0.225901D+01  0.473920D+01 -0.348245D+00
               131           132           133           134           135 
      1  -0.364003D+02 -0.863137D-03 -0.241288D+00 -0.688732D+01  0.506717D+01
      2   0.683269D+02  0.172223D+01  0.641496D+00  0.537441D+01 -0.212283D+01
      3  -0.319266D+02 -0.172137D+01 -0.400208D+00  0.151291D+01 -0.294434D+01
      4   0.255090D+02 -0.404101D+00  0.829701D+00  0.139496D+01  0.146799D+01
      5  -0.147802D+00 -0.656388D-01  0.548515D+01 -0.264367D+00  0.995416D+01
      6  -0.122759D+01  0.841484D+01  0.267325D+01  0.149030D+01  0.332335D+02
               136           137           138           139           140 
      1   0.760752D+00 -0.903246D+00  0.144652D+01 -0.149383D+01 -0.598400D+01
      2  -0.378795D+01  0.951261D+00 -0.132252D+00  0.177837D+01  0.446451D+01
      3   0.302720D+01 -0.480146D-01 -0.131426D+01 -0.284540D+00  0.151948D+01
      4  -0.149410D+00  0.363642D+01  0.381958D+01  0.284869D+01  0.223890D+01
      5   0.185206D+01  0.105226D+01  0.877030D+01  0.133752D+00  0.134652D+01
      6   0.456804D+01  0.325038D+00  0.102347D+01  0.225790D+00  0.443639D+01
               141           142           143           144           145 
      1  -0.243833D+01  0.667641D+00 -0.795018D+01 -0.221290D+02  0.488723D+02
      2   0.389833D+01 -0.806821D+00  0.528576D+01 -0.139323D+02 -0.228423D+02
      3  -0.145999D+01  0.139180D+00  0.266442D+01  0.360613D+02 -0.260301D+02
      4   0.114270D+01  0.527475D+01  0.417484D+01  0.191623D+01 -0.362561D+02
      5  -0.256002D+00  0.656163D+01  0.284972D+01  0.139842D+02  0.229816D+01
      6   0.826494D+01  0.239109D+01  0.116416D+02  0.333350D+02 -0.394522D+01
               146           147           148           149           150 
      1  -0.317261D+01  0.489168D+01  0.216961D+01  0.230407D+01  0.852053D+00
      2  -0.432737D+01 -0.196386D+01 -0.299721D+01  0.235598D+00 -0.112004D+01
      3   0.749998D+01 -0.292783D+01  0.827597D+00 -0.253967D+01  0.267990D+00
      4   0.144610D+02 -0.230036D+01  0.366514D+01 -0.123160D+01  0.841573D+00
      5   0.221069D+00  0.754396D+01  0.502778D+00  0.100410D+01 -0.946960D+00
      6  -0.374721D+00 -0.594160D+01 -0.356001D+00 -0.474709D+00  0.223854D-01
               151           152           153           154           155 
      1   0.921099D+01 -0.120043D+00  0.366118D+01  0.151276D+02  0.100344D+02
      2  -0.497426D+01 -0.125381D+01 -0.210777D+01 -0.430766D+01 -0.133929D+01
      3  -0.423673D+01  0.137385D+01 -0.155342D+01 -0.108200D+02 -0.869515D+01
      4  -0.680726D+01  0.269261D+01 -0.338954D+01  0.151238D+02  0.180885D+02
      5   0.600098D+01 -0.114683D+01  0.163732D+01 -0.313751D+00  0.292544D-01
      6  -0.355064D+01  0.179762D+01 -0.247463D+00  0.158412D+00  0.103789D+01
               156           157           158           159           160 
      1  -0.137279D+01  0.244022D+02  0.108891D+02  0.289812D+00 -0.341279D+01
      2   0.181262D+00 -0.791730D+01  0.663067D+01 -0.164322D+01  0.140786D+01
      3   0.119153D+01 -0.164849D+02 -0.175198D+02  0.135341D+01  0.200493D+01
      4  -0.507606D+00  0.278462D+02  0.400347D+02 -0.172716D+01 -0.347569D+01
      5   0.438492D+01  0.576636D+00 -0.209197D+01  0.774141D+01  0.437834D+01
      6   0.198641D+01  0.133527D+01  0.113878D+01  0.288525D+01  0.164901D+01
               161           162           163           164           165 
      1  -0.117055D+01  0.196688D+01 -0.617048D+01  0.178007D+02  0.235952D+00
      2  -0.720471D+00 -0.667200D+00  0.103691D+02 -0.284489D+02 -0.976705D+00
      3   0.189102D+01 -0.129968D+01 -0.419866D+01  0.106481D+02  0.740753D+00
      4  -0.488826D+01  0.362041D+01 -0.102463D+02  0.642199D+01  0.135785D+01
      5   0.362027D+01  0.150577D+00  0.369789D+00 -0.895866D+00 -0.135611D+01
      6   0.275438D+01 -0.799104D+00  0.162274D+01 -0.520215D+00 -0.380012D+01
               166           167           168           169           170 
      1   0.899209D+01 -0.289439D+02 -0.613868D+00  0.104795D+01 -0.392217D+01
      2  -0.135109D+02  0.487604D+02  0.205732D+01 -0.167510D+01  0.581471D+01
      3   0.451886D+01 -0.198164D+02 -0.144345D+01  0.627149D+00 -0.189254D+01
      4   0.985871D+01 -0.648721D+01 -0.423661D+00  0.169262D+01 -0.120586D+01
      5  -0.737203D+00  0.101504D+01  0.463302D+00  0.978952D+00  0.114206D+00
      6  -0.689051D+00  0.853187D+00  0.732355D+01 -0.167293D+01  0.550182D+01
               171           172           173           174           175 
      1  -0.286274D+01  0.692067D+02 -0.995747D+01 -0.762931D+01 -0.106024D+02
      2   0.374919D+01 -0.363559D+02 -0.239016D+01  0.749315D+01  0.991516D+00
      3  -0.886448D+00 -0.328509D+02  0.123476D+02  0.136163D+00  0.961092D+01
      4  -0.866474D+00 -0.270978D+02  0.334586D+02  0.557555D+00  0.356247D+02
      5  -0.855263D+00 -0.111712D+02 -0.173909D+00  0.158928D+02  0.114331D+01
      6   0.282603D+00  0.969931D+00 -0.577538D+00 -0.576398D+01 -0.393820D+00
               176           177           178           179           180 
      1   0.298391D+02 -0.550916D+01 -0.185811D+02  0.582801D+00  0.600761D+01
      2  -0.170215D+02  0.740081D+00  0.101394D+02  0.227085D+01 -0.122763D+02
      3  -0.128177D+02  0.476907D+01  0.844172D+01 -0.285365D+01  0.626871D+01
      4   0.501133D+01 -0.526429D+01  0.777190D+01 -0.113890D+02 -0.546797D+01
      5  -0.704654D+01  0.787943D+00  0.207480D+02 -0.603398D+01 -0.598740D+01
      6   0.328648D+01  0.998740D+01 -0.392838D+01  0.662322D+01  0.424803D+01
               181           182           183           184           185 
      1  -0.155012D+01  0.168665D+01  0.836374D+01 -0.246666D+01  0.425227D+00
      2  -0.189395D+01 -0.501279D+00 -0.398826D+01  0.210421D+01 -0.146567D+01
      3   0.344408D+01 -0.118537D+01 -0.437547D+01  0.362452D+00  0.104044D+01
      4   0.131925D+01  0.396789D+01 -0.173552D+00  0.622361D+01  0.331914D+01
      5   0.646240D+01 -0.126198D+00  0.484271D+01  0.662115D-01  0.514413D+01
      6  -0.812657D-01 -0.816769D+00 -0.548157D+00  0.384884D+00  0.953296D+00
               186           187           188           189           190 
      1  -0.122901D+01  0.122329D+02 -0.489116D+01 -0.161860D+02  0.204702D+02
      2   0.385298D+00 -0.977864D+01  0.266059D+00 -0.207508D+02 -0.727123D+01
      3   0.843711D+00 -0.245425D+01  0.462510D+01  0.369368D+02 -0.131990D+02
      4   0.522930D+01  0.256947D+00  0.932808D+01  0.990805D+01  0.186078D+02
      5  -0.138071D+01  0.145561D+02  0.771586D+01  0.556090D+02 -0.491712D+01
      6   0.663506D+01  0.102846D+01  0.681267D+01  0.513660D+01 -0.116864D+01
               191           192           193           194           195 
      1   0.133526D+02 -0.494693D+01  0.195521D+02  0.997560D+01 -0.729853D+00
      2  -0.391621D+01  0.167758D+01 -0.632720D+01  0.732200D+01 -0.150106D+01
      3  -0.943637D+01  0.326935D+01 -0.132249D+02 -0.172976D+02  0.223091D+01
      4   0.213492D+02 -0.241909D+01  0.257526D+02  0.423431D+02 -0.639826D+01
      5  -0.182469D+01  0.609082D+01 -0.177573D+01 -0.584509D+01  0.695586D+01
      6  -0.485975D+00  0.204379D+01 -0.429219D+00 -0.202568D+01  0.425388D+01
               196           197           198           199           200 
      1  -0.102240D+02 -0.189984D+01  0.194658D+01 -0.176602D+01  0.205961D+01
      2   0.454379D+01 -0.508538D+00 -0.265433D+01  0.913354D+00 -0.196650D+01
      3   0.568017D+01  0.240838D+01  0.707758D+00  0.852662D+00 -0.931122D-01
      4  -0.454133D+01 -0.116320D+02  0.759367D+01  0.171512D+00  0.193270D+01
      5   0.745192D+01  0.775253D+01 -0.161126D+01 -0.379503D-01 -0.403671D+00
      6   0.219116D+01  0.433606D+01 -0.238199D+01 -0.247581D+01  0.168256D+01
               201           202           203           204           205 
      1  -0.219780D+01  0.108977D+01 -0.525289D+01  0.284393D+01 -0.250510D+01
      2   0.106126D+01 -0.704040D+00  0.754068D+01 -0.488500D+01  0.247426D+00
      3   0.113654D+01 -0.385726D+00 -0.228778D+01  0.204107D+01  0.225768D+01
      4  -0.250180D+01  0.267309D+01  0.147291D+01 -0.126718D+01 -0.761071D+01
      5   0.288323D+00 -0.293911D+00 -0.110775D+01  0.182530D+01  0.228637D+01
      6  -0.453109D+01 -0.269318D+00 -0.511668D+01  0.691353D+01  0.191716D+00
               206           207           208           209           210 
      1   0.140180D+02 -0.166478D+02 -0.110440D+02 -0.831782D+01  0.178635D+01
      2  -0.164445D+02  0.576598D+01  0.746465D+01  0.833747D+01 -0.894853D+00
      3   0.242650D+01  0.108818D+02  0.357937D+01 -0.196457D-01 -0.891499D+00
      4  -0.574152D+01  0.277612D+01  0.946482D+00 -0.106124D+02  0.212517D-01
      5   0.434390D+01 -0.112432D+02  0.136571D+01  0.104014D+01 -0.248542D+01
      6   0.182834D+02 -0.395189D+02 -0.681315D+00 -0.660254D+00  0.249757D+00
               211           212           213           214           215 
      1  -0.199480D+02 -0.166354D+02  0.196588D+01  0.332254D+01  0.290724D+01
      2   0.118075D+02  0.246003D+02 -0.260532D+01 -0.201091D+01 -0.299904D+01
      3   0.814046D+01 -0.796493D+01  0.639436D+00 -0.131163D+01  0.918008D-01
      4   0.395729D+01 -0.380261D+02  0.143987D+01  0.923224D-01  0.489047D+01
      5   0.205578D+01  0.264417D+01 -0.947156D+01  0.142162D+01 -0.316857D+01
      6   0.457686D-01 -0.126732D+01  0.359340D+01  0.423956D+00  0.350624D+01
               216 
      1  -0.116325D+01
      2   0.130603D+01
      3  -0.142780D+00
      4  -0.254199D+01
      5  -0.513640D+00
      6  -0.576535D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:08:29 2022, MaxMem=  5368709120 cpu:           24065.0 elap:            3011.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17936 -19.17917 -19.17002 -19.16860 -19.16639
 Alpha  occ. eigenvalues --  -19.16013 -10.29941 -10.25092 -10.24947 -10.24852
 Alpha  occ. eigenvalues --  -10.24775 -10.23757  -1.10275  -1.06295  -1.05333
 Alpha  occ. eigenvalues --   -1.04199  -1.03318  -1.02814  -0.80519  -0.78633
 Alpha  occ. eigenvalues --   -0.70277  -0.66420  -0.63695  -0.61110  -0.57181
 Alpha  occ. eigenvalues --   -0.55965  -0.53402  -0.52113  -0.51037  -0.50268
 Alpha  occ. eigenvalues --   -0.48193  -0.46574  -0.46007  -0.43812  -0.42667
 Alpha  occ. eigenvalues --   -0.40968  -0.39701  -0.39253  -0.37944  -0.37265
 Alpha  occ. eigenvalues --   -0.36018  -0.33871  -0.33366  -0.31238  -0.30029
 Alpha  occ. eigenvalues --   -0.29406  -0.29066  -0.27821
 Alpha virt. eigenvalues --   -0.01175  -0.00752  -0.00091   0.00056   0.01887
 Alpha virt. eigenvalues --    0.02345   0.02768   0.03023   0.03465   0.04474
 Alpha virt. eigenvalues --    0.05653   0.06221   0.06414   0.07404   0.07457
 Alpha virt. eigenvalues --    0.07927   0.08219   0.08827   0.09342   0.09628
 Alpha virt. eigenvalues --    0.10009   0.10277   0.10961   0.11380   0.11645
 Alpha virt. eigenvalues --    0.11781   0.12147   0.12346   0.12666   0.12966
 Alpha virt. eigenvalues --    0.13246   0.13384   0.13974   0.15069   0.15543
 Alpha virt. eigenvalues --    0.16019   0.16180   0.16828   0.17288   0.17530
 Alpha virt. eigenvalues --    0.18381   0.19094   0.19393   0.19778   0.20646
 Alpha virt. eigenvalues --    0.20821   0.21530   0.21946   0.22570   0.23044
 Alpha virt. eigenvalues --    0.23573   0.23854   0.24069   0.24642   0.25328
 Alpha virt. eigenvalues --    0.25542   0.25797   0.26551   0.26665   0.27018
 Alpha virt. eigenvalues --    0.27168   0.27880   0.28260   0.28528   0.28768
 Alpha virt. eigenvalues --    0.29250   0.29891   0.30216   0.30534   0.30727
 Alpha virt. eigenvalues --    0.31582   0.31705   0.32214   0.33340   0.33945
 Alpha virt. eigenvalues --    0.34617   0.34745   0.35191   0.36389   0.37158
 Alpha virt. eigenvalues --    0.37512   0.37819   0.38319   0.38727   0.39061
 Alpha virt. eigenvalues --    0.40123   0.40583   0.41210   0.41275   0.41676
 Alpha virt. eigenvalues --    0.43295   0.43378   0.44380   0.45027   0.45541
 Alpha virt. eigenvalues --    0.46239   0.48215   0.48317   0.49098   0.49990
 Alpha virt. eigenvalues --    0.50575   0.51157   0.51933   0.52395   0.53712
 Alpha virt. eigenvalues --    0.53856   0.54590   0.54843   0.55883   0.56929
 Alpha virt. eigenvalues --    0.58227   0.58749   0.59209   0.60156   0.60503
 Alpha virt. eigenvalues --    0.60905   0.61830   0.62265   0.62788   0.63463
 Alpha virt. eigenvalues --    0.64370   0.65422   0.65805   0.66515   0.66905
 Alpha virt. eigenvalues --    0.67662   0.67738   0.68989   0.69901   0.70593
 Alpha virt. eigenvalues --    0.71377   0.72034   0.72417   0.73500   0.74437
 Alpha virt. eigenvalues --    0.75217   0.76030   0.76552   0.77699   0.78314
 Alpha virt. eigenvalues --    0.78856   0.79708   0.80409   0.81038   0.81617
 Alpha virt. eigenvalues --    0.82676   0.83597   0.84995   0.85605   0.87052
 Alpha virt. eigenvalues --    0.87337   0.87816   0.89583   0.90109   0.91325
 Alpha virt. eigenvalues --    0.92626   0.92931   0.94125   0.94835   0.95036
 Alpha virt. eigenvalues --    0.96959   0.99605   1.00840   1.02254   1.03559
 Alpha virt. eigenvalues --    1.04336   1.05521   1.06187   1.06997   1.07153
 Alpha virt. eigenvalues --    1.08397   1.09811   1.10915   1.11601   1.12125
 Alpha virt. eigenvalues --    1.12932   1.14256   1.15095   1.16539   1.18182
 Alpha virt. eigenvalues --    1.18398   1.20084   1.22197   1.23016   1.24597
 Alpha virt. eigenvalues --    1.25455   1.26032   1.27990   1.28903   1.30230
 Alpha virt. eigenvalues --    1.31780   1.34078   1.35087   1.36399   1.39605
 Alpha virt. eigenvalues --    1.40630   1.41238   1.42313   1.42840   1.44338
 Alpha virt. eigenvalues --    1.46604   1.46865   1.48799   1.49632   1.51702
 Alpha virt. eigenvalues --    1.52541   1.53485   1.55869   1.56977   1.58201
 Alpha virt. eigenvalues --    1.60659   1.61292   1.62179   1.63389   1.65022
 Alpha virt. eigenvalues --    1.65373   1.67159   1.67818   1.69979   1.71681
 Alpha virt. eigenvalues --    1.73170   1.73953   1.76962   1.78371   1.79948
 Alpha virt. eigenvalues --    1.80286   1.81868   1.82326   1.83423   1.84091
 Alpha virt. eigenvalues --    1.85306   1.86898   1.87896   1.90842   1.91181
 Alpha virt. eigenvalues --    1.92070   1.92385   1.93123   1.94740   1.96093
 Alpha virt. eigenvalues --    1.97681   1.99869   2.00024   2.02272   2.02614
 Alpha virt. eigenvalues --    2.03983   2.04803   2.06566   2.08739   2.09381
 Alpha virt. eigenvalues --    2.10951   2.11684   2.12834   2.14661   2.16173
 Alpha virt. eigenvalues --    2.16966   2.19295   2.20730   2.21330   2.23381
 Alpha virt. eigenvalues --    2.24348   2.25931   2.28117   2.28873   2.30418
 Alpha virt. eigenvalues --    2.31520   2.33935   2.35979   2.38585   2.39995
 Alpha virt. eigenvalues --    2.41051   2.43262   2.44513   2.46218   2.48423
 Alpha virt. eigenvalues --    2.49375   2.52281   2.53826   2.54213   2.57733
 Alpha virt. eigenvalues --    2.58197   2.58956   2.61368   2.64391   2.65257
 Alpha virt. eigenvalues --    2.67670   2.68844   2.72079   2.73215   2.76800
 Alpha virt. eigenvalues --    2.77687   2.78569   2.81398   2.85017   2.85995
 Alpha virt. eigenvalues --    2.99238   3.02344   3.06737   3.10973   3.16228
 Alpha virt. eigenvalues --    3.19875   3.26679   3.32679   3.39052   3.39684
 Alpha virt. eigenvalues --    3.41057   3.41986   3.43013   3.44401   3.45244
 Alpha virt. eigenvalues --    3.45689   3.47619   3.47843   3.48159   3.49044
 Alpha virt. eigenvalues --    3.49613   3.51154   3.52938   3.53116   3.54846
 Alpha virt. eigenvalues --    3.56253   3.57631   3.60627   3.64344   3.66997
 Alpha virt. eigenvalues --    3.73081   3.77357   3.84933   3.85860   3.94283
 Alpha virt. eigenvalues --    3.98211   4.00017   4.02855   4.06937   4.11368
 Alpha virt. eigenvalues --    4.28725
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.789283  -1.656490  -1.488200   0.043881  -0.054917   0.217911
     2  C   -1.656490   9.346426  -1.051877   0.282815   0.270207  -1.484454
     3  C   -1.488200  -1.051877  11.321202  -3.492837   0.366474   0.605339
     4  C    0.043881   0.282815  -3.492837  10.779837  -0.906911  -0.903659
     5  O   -0.054917   0.270207   0.366474  -0.906911   9.272910   0.022643
     6  C    0.217911  -1.484454   0.605339  -0.903659   0.022643   6.918822
     7  O   -0.780482   0.266386   0.154301   0.122283  -0.003059  -0.037168
     8  H   -1.120339   0.569455  -0.316334   0.125046   0.006290  -0.273756
     9  O    0.217057  -0.790067   0.129746  -0.031910  -0.017603   0.230048
    10  H   -0.371630  -0.816517   0.064681  -0.036924  -0.023482   0.343221
    11  H    0.115468   0.030531  -0.968600   0.129093  -0.006814  -0.088134
    12  O    0.245867   0.015058  -0.841338   0.217918  -0.002137  -0.005317
    13  C   -0.395027   0.231935  -0.112205  -0.238239  -0.009796  -0.255282
    14  H   -0.082032   0.140081   0.415778  -1.420118  -0.012444   0.035918
    15  O   -0.021991   0.071374  -0.007526   0.007690  -0.074024   0.048406
    16  H   -0.002687  -0.219192   0.178231   0.089948  -0.056114  -0.576006
    17  H    0.174360  -0.123892   0.001299  -0.013878  -0.002297   0.018032
    18  H   -0.038063   0.168037  -0.021719   0.013110   0.001460  -0.112218
    19  H   -0.056604  -0.012392   0.132949  -0.049083   0.001701   0.005421
    20  O   -0.023360  -0.007308  -0.138177   0.366403  -0.082319  -0.001706
    21  H    0.016755   0.001405  -0.263424   0.051196  -0.093640  -0.000008
    22  H    0.074481   0.011841   0.206688  -0.155708   0.197354   0.033655
    23  H    0.035375  -0.090159   0.013929   0.018282  -0.002882  -0.110631
    24  H    0.001648  -0.003132   0.028310  -0.019444   0.053939  -0.009610
               7          8          9         10         11         12
     1  C   -0.780482  -1.120339   0.217057  -0.371630   0.115468   0.245867
     2  C    0.266386   0.569455  -0.790067  -0.816517   0.030531   0.015058
     3  C    0.154301  -0.316334   0.129746   0.064681  -0.968600  -0.841338
     4  C    0.122283   0.125046  -0.031910  -0.036924   0.129093   0.217918
     5  O   -0.003059   0.006290  -0.017603  -0.023482  -0.006814  -0.002137
     6  C   -0.037168  -0.273756   0.230048   0.343221  -0.088134  -0.005317
     7  O    8.738848  -0.044095  -0.016883   0.040207  -0.014828  -0.021078
     8  H   -0.044095   2.406775  -0.048778   0.098864   0.095935   0.043460
     9  O   -0.016883  -0.048778   8.725952  -0.049071  -0.002983  -0.005358
    10  H    0.040207   0.098864  -0.049071   2.190564   0.041251   0.010119
    11  H   -0.014828   0.095935  -0.002983   0.041251   2.186275  -0.026843
    12  O   -0.021078   0.043460  -0.005358   0.010119  -0.026843   8.728431
    13  C    0.003917   0.086105  -0.004426   0.034440  -0.038565   0.047060
    14  H   -0.007493  -0.018863  -0.015154  -0.002814   0.097936  -0.007970
    15  O   -0.000425  -0.001180   0.004031  -0.028232   0.003498   0.000052
    16  H   -0.000499  -0.002384   0.032770   0.104486  -0.005521  -0.010805
    17  H    0.261582  -0.103709   0.016798  -0.020633   0.000745   0.003905
    18  H    0.005337   0.010194   0.259042  -0.065237  -0.002065   0.000206
    19  H    0.018460  -0.011778   0.000383  -0.000114  -0.058589   0.276365
    20  O    0.000805  -0.003527   0.000266  -0.000974  -0.003118   0.007334
    21  H   -0.001569   0.000102  -0.001016   0.005521  -0.011622   0.020547
    22  H   -0.001554   0.013720  -0.000112   0.004038  -0.009954  -0.020668
    23  H   -0.001812  -0.001422   0.009544   0.007972  -0.001757  -0.000594
    24  H    0.000497   0.000813   0.000441   0.000808   0.000281  -0.000961
              13         14         15         16         17         18
     1  C   -0.395027  -0.082032  -0.021991  -0.002687   0.174360  -0.038063
     2  C    0.231935   0.140081   0.071374  -0.219192  -0.123892   0.168037
     3  C   -0.112205   0.415778  -0.007526   0.178231   0.001299  -0.021719
     4  C   -0.238239  -1.420118   0.007690   0.089948  -0.013878   0.013110
     5  O   -0.009796  -0.012444  -0.074024  -0.056114  -0.002297   0.001460
     6  C   -0.255282   0.035918   0.048406  -0.576006   0.018032  -0.112218
     7  O    0.003917  -0.007493  -0.000425  -0.000499   0.261582   0.005337
     8  H    0.086105  -0.018863  -0.001180  -0.002384  -0.103709   0.010194
     9  O   -0.004426  -0.015154   0.004031   0.032770   0.016798   0.259042
    10  H    0.034440  -0.002814  -0.028232   0.104486  -0.020633  -0.065237
    11  H   -0.038565   0.097936   0.003498  -0.005521   0.000745  -0.002065
    12  O    0.047060  -0.007970   0.000052  -0.010805   0.003905   0.000206
    13  C    5.654961  -0.117961  -0.008075   0.040038  -0.005221   0.001572
    14  H   -0.117961   2.770954  -0.008794  -0.040508  -0.000346   0.001825
    15  O   -0.008075  -0.008794   8.444511  -0.182451   0.000105   0.022305
    16  H    0.040038  -0.040508  -0.182451   2.145829  -0.001845  -0.021867
    17  H   -0.005221  -0.000346   0.000105  -0.001845   0.660860  -0.002584
    18  H    0.001572   0.001825   0.022305  -0.021867  -0.002584   0.652558
    19  H   -0.013020  -0.001621  -0.000185   0.001185  -0.002447  -0.000211
    20  O   -0.105713   0.000596  -0.001456  -0.002518  -0.000006  -0.000007
    21  H    0.183789   0.153042  -0.007580   0.005948  -0.000134   0.000177
    22  H   -0.274256  -0.187781   0.001692   0.003217  -0.000296   0.000076
    23  H   -0.001634  -0.000926   0.304368   0.042864   0.000139  -0.000385
    24  H   -0.054480  -0.011082   0.004012   0.000181   0.000011  -0.000173
              19         20         21         22         23         24
     1  C   -0.056604  -0.023360   0.016755   0.074481   0.035375   0.001648
     2  C   -0.012392  -0.007308   0.001405   0.011841  -0.090159  -0.003132
     3  C    0.132949  -0.138177  -0.263424   0.206688   0.013929   0.028310
     4  C   -0.049083   0.366403   0.051196  -0.155708   0.018282  -0.019444
     5  O    0.001701  -0.082319  -0.093640   0.197354  -0.002882   0.053939
     6  C    0.005421  -0.001706  -0.000008   0.033655  -0.110631  -0.009610
     7  O    0.018460   0.000805  -0.001569  -0.001554  -0.001812   0.000497
     8  H   -0.011778  -0.003527   0.000102   0.013720  -0.001422   0.000813
     9  O    0.000383   0.000266  -0.001016  -0.000112   0.009544   0.000441
    10  H   -0.000114  -0.000974   0.005521   0.004038   0.007972   0.000808
    11  H   -0.058589  -0.003118  -0.011622  -0.009954  -0.001757   0.000281
    12  O    0.276365   0.007334   0.020547  -0.020668  -0.000594  -0.000961
    13  C   -0.013020  -0.105713   0.183789  -0.274256  -0.001634  -0.054480
    14  H   -0.001621   0.000596   0.153042  -0.187781  -0.000926  -0.011082
    15  O   -0.000185  -0.001456  -0.007580   0.001692   0.304368   0.004012
    16  H    0.001185  -0.002518   0.005948   0.003217   0.042864   0.000181
    17  H   -0.002447  -0.000006  -0.000134  -0.000296   0.000139   0.000011
    18  H   -0.000211  -0.000007   0.000177   0.000076  -0.000385  -0.000173
    19  H    0.640494  -0.000250  -0.000801  -0.000883   0.000234  -0.000050
    20  O   -0.000250   8.531448  -0.021634  -0.237349   0.000503   0.273307
    21  H   -0.000801  -0.021634   1.911270  -0.477915   0.001269  -0.079463
    22  H   -0.000883  -0.237349  -0.477915   2.197836  -0.000565   0.036483
    23  H    0.000234   0.000503   0.001269  -0.000565   0.680288  -0.000150
    24  H   -0.000050   0.273307  -0.079463   0.036483  -0.000150   0.642591
 Mulliken charges:
               1
     1  C    1.159733
     2  C    0.849926
     3  C    1.083309
     4  C    1.021210
     5  O   -0.844534
     6  C    1.378533
     7  O   -0.681679
     8  H   -0.510596
     9  O   -0.642717
    10  H   -0.530545
    11  H   -0.461620
    12  O   -0.673253
    13  C    1.350085
    14  H   -0.680222
    15  O   -0.570124
    16  H   -0.522301
    17  H    0.139451
    18  H    0.128630
    19  H    0.130835
    20  O   -0.551239
    21  H   -0.392216
    22  H   -0.414040
    23  H    0.098149
    24  H    0.135224
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.649138
     2  C    0.319381
     3  C    0.621689
     4  C    0.340988
     5  O   -0.844534
     6  C    0.856232
     7  O   -0.542228
     9  O   -0.514087
    12  O   -0.542418
    13  C    0.543828
    15  O   -0.471975
    20  O   -0.416014
 Electronic spatial extent (au):  <R**2>=           2206.3390
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.3875    Y=             -0.7824    Z=              1.8343  Tot=              3.9309
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.7928   YY=            -73.6954   ZZ=            -69.6450
   XY=              1.5628   XZ=              1.6755   YZ=             -4.0656
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4151   YY=              1.6824   ZZ=              5.7327
   XY=              1.5628   XZ=              1.6755   YZ=             -4.0656
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -70.9365  YYY=              3.1757  ZZZ=              3.8445  XYY=             -8.1505
  XXY=              0.1498  XXZ=             13.7026  XZZ=             -2.7853  YZZ=            -10.0986
  YYZ=             11.1457  XYZ=              8.0265
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1722.1699 YYYY=          -1004.2331 ZZZZ=           -143.3268 XXXY=             42.6565
 XXXZ=             19.1734 YYYX=            -37.2312 YYYZ=            -39.2445 ZZZX=             -1.0970
 ZZZY=            -10.2710 XXYY=           -386.6699 XXZZ=           -291.8976 YYZZ=           -180.7026
 XXYZ=            -17.4413 YYXZ=              2.1372 ZZXY=              7.5550
 N-N= 8.260189978020D+02 E-N=-3.264222161622D+03  KE= 6.834223062320D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:08:30 2022, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36237549D+00-3.36885122D-01 7.28916177D-01
 Polarizability= 1.26080957D+02 2.98280023D+00 1.24040964D+02
                 9.51037475D-02-4.32296902D-01 1.08421669D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1259   -0.1243        0.8183    0.8196
 2      0.1259    0.1243        0.0877    0.0877       -2.4581   -2.4606
 3     -0.8183   -0.8196       12.2776   12.2788       -0.0866   -0.0877
 4     -0.0877   -0.0877        0.0000    0.0000       -0.8190   -0.8196
 5     -9.8196   -9.8182        0.8190    0.8196       -0.1226   -0.1243
 6      0.0866    0.0877        0.1226    0.1243        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3729    0.3729        2.4589    2.4589
 2     -0.2631   -0.2631        0.0000    0.0000        2.4589    2.4589
 3     -0.2631   -0.2631        0.3729    0.3729       -0.0000    0.0000
 4      0.3729    0.3729        0.2631    0.2631       -7.3819   -7.3819
 5     -2.4589   -2.4589       36.8365   36.8365       -0.2631   -0.2631
 6    -29.4546  -29.4546        2.4589    2.4589       -0.3729   -0.3729
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0327    0.0000        0.5674    0.4973       -3.1320   -3.2786
 2     -0.5240   -0.4973       -0.2474   -0.3508        9.7725    9.8425
 3      3.1623    3.2786      -48.9028  -49.1154        0.3267    0.3508
 4      0.2954    0.3508       -0.0098    0.0000        3.4541    3.2786
 5     39.2910   39.2728       -3.0123   -3.2786        0.5306    0.4973
 6     -0.4270   -0.3508       -0.6273   -0.4973       -0.0885    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0983    0.0000        7.9126    7.9740        6.6644    6.7486
 2     -7.6156   -7.9740       -5.6090   -5.5281       -0.6679   -0.6377
 3     -6.9141   -6.7486       -8.6797   -9.0425        5.7790    5.5281
 4      5.3688    5.5281        0.0288    0.0000       -6.6035   -6.7486
 5      9.4368    9.6802        6.9811    6.7486        8.1531    7.9740
 6     -5.4291   -5.5281       -7.9351   -7.9740       -0.0905    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.8540  -21.5776        5.3053    5.4076      -10.9762  -11.0609
 2    -20.7556  -20.3915       15.5251   15.6459      -10.9314  -11.0609
 3    -20.8998  -20.3915        5.1112    5.4076      -15.1358  -15.2865
 4     -9.8278  -10.2383       -1.2555   -1.1861       -8.8484   -8.8115
 5     -4.6882   -4.2256      -15.5325  -15.1573        1.4754    1.1861
 6     23.4521   23.9688        4.3347    4.2256       10.2564   10.2383
 Full mass-weighted force constant matrix:
 Low frequencies ---  -20.6708  -16.6120  -13.3301   -0.0009   -0.0007   -0.0004
 Low frequencies ---   63.9724   90.7971  108.1524
 Diagonal vibrational polarizability:
      148.4233465      88.2550257     213.6707200
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.9373                90.7023               108.1445
 Red. masses --      6.8317                 4.2430                 6.4274
 Frc consts  --      0.0165                 0.0206                 0.0443
 IR Inten    --      0.4193                 8.6344                 1.0704
 RamAct Fr= 1--      0.0233                 0.0762                 0.0911
  Dep-P Fr= 1--      0.7391                 0.6312                 0.7264
  Dep-U Fr= 1--      0.8500                 0.7739                 0.8415
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0033                 0.0098                 0.0128
 AlphaG Fr= 1--     -0.0000                 0.0004                 0.0001
 Gamma2 Fr= 1--     -0.0542                -0.1128                 0.0128
 Delta2 Fr= 1--     -0.0113                -0.0221                -0.0049
 Raman1 Fr= 1--       0.093                  0.305                  0.364
 ROA1   Fr= 1--      -5.567                -11.541                  1.076
 CID1   Fr= 1--     -59.613                -37.852                  2.955
 Raman2 Fr= 1--       0.040                  0.118                  0.153
 ROA2   Fr= 1--      -1.211                 -2.531                  0.347
 CID2   Fr= 1--     -30.503                -21.456                  2.262
 Raman3 Fr= 1--       0.079                  0.236                  0.307
 ROA3   Fr= 1--      -5.567                -11.541                  1.076
 CID3   Fr= 1--     -70.134                -48.912                  3.511
 RC180  Fr= 1--       0.700                  0.548                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.03     0.01  -0.02  -0.03    -0.03   0.02   0.10
     2   6     0.04  -0.01   0.08    -0.01   0.01   0.05    -0.05  -0.02  -0.05
     3   6     0.01   0.04  -0.11     0.00  -0.04   0.01     0.02   0.01  -0.05
     4   6     0.03   0.02  -0.06     0.01  -0.06   0.06    -0.01  -0.06   0.06
     5   8     0.01   0.01  -0.12    -0.04  -0.08  -0.03    -0.05  -0.01   0.16
     6   6    -0.00   0.05  -0.11    -0.06  -0.01  -0.02    -0.00  -0.01   0.04
     7   8     0.02  -0.01   0.12     0.02   0.04  -0.14     0.05  -0.04   0.33
     8   1    -0.15  -0.00   0.03     0.05  -0.10  -0.04    -0.14   0.16   0.11
     9   8    -0.04  -0.01   0.27    -0.06   0.03   0.16     0.02   0.03  -0.26
    10   1     0.20  -0.04   0.08     0.08   0.03   0.05    -0.20  -0.08  -0.06
    11   1     0.09   0.14  -0.12    -0.04  -0.00   0.01     0.11   0.18  -0.05
    12   8    -0.03  -0.01  -0.27     0.04  -0.07  -0.02     0.02  -0.09  -0.30
    13   6    -0.02   0.02   0.08    -0.04  -0.05   0.17    -0.02   0.00   0.05
    14   1     0.11   0.03  -0.06     0.10  -0.02   0.06    -0.01  -0.16   0.06
    15   8     0.03  -0.01  -0.26    -0.10  -0.01  -0.07    -0.06  -0.01  -0.00
    16   1    -0.05   0.19  -0.11    -0.09   0.04  -0.02     0.11  -0.01   0.04
    17   1    -0.01  -0.03   0.23     0.02   0.02  -0.13     0.03   0.10   0.29
    18   1     0.05  -0.05   0.18    -0.02   0.01   0.12    -0.04   0.04  -0.29
    19   1     0.03   0.03  -0.19     0.04  -0.06  -0.09     0.12  -0.01  -0.23
    20   8    -0.01  -0.08   0.32     0.17   0.25  -0.10     0.10   0.14  -0.05
    21   1    -0.16   0.15   0.08    -0.11  -0.37   0.16    -0.00  -0.08   0.04
    22   1     0.06  -0.04   0.03    -0.16   0.11   0.47    -0.11   0.07   0.12
    23   1     0.11  -0.15  -0.28    -0.04  -0.07  -0.08    -0.25   0.01   0.03
    24   1    -0.11  -0.03   0.31     0.42   0.09  -0.21     0.28   0.05   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.2020               171.4723               187.9370
 Red. masses --      5.0415                 1.9085                 1.9063
 Frc consts  --      0.0584                 0.0331                 0.0397
 IR Inten    --      3.0057                58.6036                69.5154
 RamAct Fr= 1--      0.0890                 0.2795                 0.5213
  Dep-P Fr= 1--      0.5245                 0.7416                 0.7244
  Dep-U Fr= 1--      0.6881                 0.8516                 0.8402
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0102                 0.0397                 0.0730
 AlphaG Fr= 1--     -0.0002                -0.0009                 0.0006
 Gamma2 Fr= 1--     -0.0066                 0.0181                -0.0590
 Delta2 Fr= 1--      0.0140                -0.0716                 0.0158
 Raman1 Fr= 1--       0.356                  1.118                  2.085
 ROA1   Fr= 1--      -0.189                 -0.552                 -5.158
 CID1   Fr= 1--      -0.530                 -0.493                 -2.474
 Raman2 Fr= 1--       0.123                  0.476                  0.876
 ROA2   Fr= 1--      -0.271                  1.008                 -1.542
 CID2   Fr= 1--      -2.209                  2.116                 -1.760
 Raman3 Fr= 1--       0.245                  0.952                  1.752
 ROA3   Fr= 1--      -0.189                 -0.552                 -5.158
 CID3   Fr= 1--      -0.771                 -0.579                 -2.944
 RC180  Fr= 1--       0.376                  0.703                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04    -0.01  -0.01   0.00    -0.01   0.01   0.01
     2   6     0.01  -0.01   0.07    -0.03   0.00   0.02    -0.01   0.00  -0.00
     3   6    -0.00   0.07   0.07    -0.00  -0.05  -0.01    -0.01   0.02  -0.00
     4   6    -0.00   0.02   0.17    -0.01  -0.04  -0.04     0.02   0.04   0.01
     5   8    -0.02   0.07   0.28    -0.00  -0.02   0.04     0.02   0.01  -0.09
     6   6     0.07   0.06   0.05    -0.01   0.01   0.02     0.00   0.01  -0.01
     7   8    -0.04   0.02  -0.12     0.10   0.08   0.02     0.06   0.05   0.05
     8   1     0.08  -0.10   0.03    -0.04  -0.01   0.00    -0.03   0.03   0.02
     9   8     0.02  -0.05   0.06    -0.02  -0.08   0.02     0.01  -0.08  -0.02
    10   1     0.01  -0.01   0.07    -0.03   0.01   0.02    -0.01  -0.01  -0.00
    11   1    -0.02   0.20   0.07     0.00  -0.11  -0.01    -0.00   0.04  -0.00
    12   8    -0.02   0.01  -0.08    -0.03  -0.02   0.07    -0.08   0.03  -0.03
    13   6     0.05  -0.04   0.01     0.01   0.07  -0.11    -0.01  -0.08   0.12
    14   1    -0.06  -0.07   0.17    -0.07  -0.09  -0.04     0.10   0.11   0.01
    15   8     0.04  -0.02  -0.25    -0.06   0.00  -0.04     0.04   0.02   0.06
    16   1     0.24   0.25   0.05     0.01   0.04   0.02    -0.07  -0.02  -0.01
    17   1    -0.00   0.07  -0.30     0.15   0.50  -0.40     0.12   0.44  -0.38
    18   1     0.18  -0.14  -0.19     0.19  -0.19  -0.26     0.17  -0.16  -0.20
    19   1    -0.06   0.01  -0.24    -0.16  -0.10  -0.09    -0.21  -0.05  -0.20
    20   8    -0.11  -0.09  -0.16     0.05   0.03   0.05    -0.04  -0.04  -0.03
    21   1     0.21  -0.08   0.01     0.05   0.26  -0.10    -0.09  -0.30   0.11
    22   1     0.08  -0.06  -0.02    -0.05   0.04  -0.28     0.06  -0.05   0.33
    23   1    -0.19  -0.20  -0.22    -0.18  -0.02  -0.03     0.17   0.06   0.05
    24   1    -0.18  -0.05  -0.16     0.14   0.03   0.25    -0.15  -0.04  -0.29
                      7                      8                      9
                      A                      A                      A
 Frequencies --    225.4363               261.8132               281.0881
 Red. masses --      2.4387                 2.0028                 2.2848
 Frc consts  --      0.0730                 0.0809                 0.1064
 IR Inten    --     32.3255                39.7448               131.3784
 RamAct Fr= 1--      0.4423                 0.2304                 0.3506
  Dep-P Fr= 1--      0.4906                 0.7499                 0.6041
  Dep-U Fr= 1--      0.6583                 0.8571                 0.7532
 Alpha2 Fr= 1--      0.0023                 0.0000                 0.0009
 Beta2  Fr= 1--      0.0485                 0.0329                 0.0440
 AlphaG Fr= 1--     -0.0011                -0.0001                 0.0027
 Gamma2 Fr= 1--     -0.0943                 0.0012                 0.0134
 Delta2 Fr= 1--     -0.0869                 0.0712                -0.0307
 Raman1 Fr= 1--       1.769                  0.921                  1.402
 ROA1   Fr= 1--     -11.835                  2.397                  0.304
 CID1   Fr= 1--      -6.689                  2.602                  0.217
 Raman2 Fr= 1--       0.582                  0.395                  0.528
 ROA2   Fr= 1--      -1.568                 -0.539                  0.567
 CID2   Fr= 1--      -2.692                 -1.366                  1.074
 Raman3 Fr= 1--       1.165                  0.790                  1.056
 ROA3   Fr= 1--     -11.835                  2.397                  0.304
 CID3   Fr= 1--     -10.162                  3.036                  0.288
 RC180  Fr= 1--       0.317                  0.714                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.05    -0.04   0.03   0.00    -0.04   0.01  -0.07
     2   6    -0.05  -0.03   0.04    -0.05   0.00   0.01    -0.05   0.02  -0.03
     3   6     0.02  -0.03   0.02    -0.02  -0.01   0.00    -0.01  -0.02  -0.08
     4   6     0.02  -0.01  -0.01    -0.05  -0.01   0.01     0.04  -0.01  -0.02
     5   8    -0.02   0.01   0.02    -0.02  -0.00   0.01    -0.04   0.05   0.08
     6   6    -0.03  -0.03   0.02    -0.01   0.00   0.01    -0.00   0.05   0.01
     7   8     0.08   0.01  -0.03     0.02   0.08   0.00     0.10   0.08  -0.01
     8   1     0.05  -0.11   0.04    -0.04   0.02   0.00    -0.09   0.02  -0.07
     9   8    -0.04   0.17  -0.05    -0.02  -0.04  -0.03    -0.04  -0.13  -0.01
    10   1    -0.11  -0.06   0.04    -0.08   0.01   0.01    -0.04   0.06  -0.03
    11   1     0.06  -0.03   0.02    -0.04  -0.00   0.00    -0.05  -0.08  -0.08
    12   8    -0.15   0.03   0.00     0.13  -0.09  -0.01    -0.09   0.05   0.03
    13   6     0.02  -0.01  -0.02    -0.06   0.04  -0.00     0.04  -0.07   0.02
    14   1    -0.00  -0.02  -0.01    -0.06  -0.01   0.01     0.08  -0.10  -0.02
    15   8     0.10  -0.08  -0.03     0.11  -0.05  -0.01    -0.00   0.04  -0.02
    16   1    -0.04   0.02   0.02    -0.04   0.04   0.01     0.05   0.07   0.01
    17   1     0.09   0.10  -0.11     0.04   0.24  -0.14    -0.04  -0.19   0.64
    18   1    -0.43   0.35   0.33    -0.14   0.05   0.28    -0.04  -0.07   0.27
    19   1    -0.42  -0.15  -0.32     0.32   0.06   0.16     0.01   0.05   0.41
    20   8     0.05  -0.01   0.01    -0.07   0.04  -0.00     0.07  -0.04  -0.02
    21   1     0.03   0.02  -0.02    -0.05   0.06  -0.00     0.01  -0.14   0.02
    22   1     0.01  -0.01  -0.04    -0.09   0.04  -0.03     0.07  -0.06   0.10
    23   1     0.25  -0.15  -0.05     0.71  -0.23  -0.11     0.25  -0.05  -0.06
    24   1     0.09  -0.02   0.08    -0.07   0.04  -0.01     0.18  -0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    302.7831               306.5449               316.4625
 Red. masses --      1.8643                 1.8506                 1.7029
 Frc consts  --      0.1007                 0.1025                 0.1005
 IR Inten    --    172.6175                43.6331                25.1829
 RamAct Fr= 1--      1.0237                 1.0069                 0.7744
  Dep-P Fr= 1--      0.5898                 0.1316                 0.6870
  Dep-U Fr= 1--      0.7420                 0.2325                 0.8145
 Alpha2 Fr= 1--      0.0031                 0.0163                 0.0009
 Beta2  Fr= 1--      0.1266                 0.0390                 0.1051
 AlphaG Fr= 1--     -0.0019                -0.0052                 0.0012
 Gamma2 Fr= 1--      0.7314                 0.2140                 0.0183
 Delta2 Fr= 1--      0.5660                 0.0196                 0.0315
 Raman1 Fr= 1--       4.095                  4.028                  3.097
 ROA1   Fr= 1--      88.327                 21.168                  2.766
 CID1   Fr= 1--      21.570                  5.256                  0.893
 Raman2 Fr= 1--       1.519                  0.468                  1.261
 ROA2   Fr= 1--      13.025                  4.978                  0.188
 CID2   Fr= 1--       8.573                 10.631                  0.149
 Raman3 Fr= 1--       3.039                  0.937                  2.523
 ROA3   Fr= 1--      88.327                 21.168                  2.766
 CID3   Fr= 1--      29.069                 22.603                  1.097
 RC180  Fr= 1--       0.484                 -0.535                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09    -0.01  -0.01  -0.03    -0.02   0.04  -0.07
     2   6    -0.02   0.02   0.08    -0.04  -0.01  -0.04     0.04   0.02  -0.09
     3   6     0.01   0.02   0.07     0.01   0.02  -0.04    -0.01   0.02  -0.03
     4   6     0.01  -0.00   0.01     0.02   0.01  -0.02     0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.06    -0.05   0.06   0.03    -0.02   0.01   0.04
     6   6    -0.03   0.06   0.03    -0.02  -0.01  -0.02     0.02   0.01  -0.05
     7   8    -0.11   0.01  -0.04    -0.05  -0.07   0.03    -0.07  -0.07   0.07
     8   1     0.04  -0.04   0.08    -0.03   0.03  -0.03    -0.04   0.14  -0.06
     9   8     0.03  -0.01  -0.05    -0.09   0.07   0.05     0.00  -0.04   0.03
    10   1    -0.10  -0.02   0.07     0.01  -0.01  -0.03     0.11   0.06  -0.08
    11   1     0.07   0.06   0.06     0.01  -0.00  -0.04    -0.07   0.00  -0.03
    12   8    -0.02  -0.01  -0.03     0.01   0.03  -0.01     0.05   0.03   0.04
    13   6     0.05  -0.04  -0.03     0.03  -0.05   0.00     0.02  -0.03   0.00
    14   1    -0.02   0.07   0.01     0.03  -0.03  -0.02     0.01  -0.05   0.01
    15   8    -0.04   0.05   0.01     0.10  -0.03   0.02    -0.05   0.04   0.01
    16   1    -0.13   0.11   0.02     0.02  -0.05  -0.02     0.09  -0.03  -0.04
    17   1    -0.09  -0.13  -0.03     0.04   0.23  -0.46    -0.00   0.14  -0.31
    18   1     0.17  -0.10  -0.32     0.02  -0.03  -0.29    -0.15   0.11   0.55
    19   1    -0.00   0.01  -0.04     0.28   0.15   0.57    -0.20  -0.07  -0.48
    20   8     0.08  -0.04  -0.01     0.06  -0.03  -0.01     0.03  -0.02  -0.02
    21   1     0.09  -0.01  -0.03     0.00  -0.09  -0.00     0.04  -0.04   0.00
    22   1     0.05  -0.06  -0.07     0.05  -0.04   0.05     0.02  -0.03   0.00
    23   1     0.59  -0.15  -0.10    -0.11   0.08   0.05     0.22   0.01  -0.04
    24   1     0.33  -0.09   0.42     0.23  -0.07   0.23     0.19  -0.05   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.9416               355.7695               364.4109
 Red. masses --      1.4310                 1.4329                 2.5179
 Frc consts  --      0.0929                 0.1069                 0.1970
 IR Inten    --    146.2020               158.7032               157.8047
 RamAct Fr= 1--      0.4049                 0.4899                 3.8020
  Dep-P Fr= 1--      0.4579                 0.4582                 0.3239
  Dep-U Fr= 1--      0.6282                 0.6284                 0.4894
 Alpha2 Fr= 1--      0.0024                 0.0029                 0.0363
 Beta2  Fr= 1--      0.0424                 0.0513                 0.3101
 AlphaG Fr= 1--      0.0017                 0.0023                -0.0129
 Gamma2 Fr= 1--     -0.2693                -0.1119                -0.9133
 Delta2 Fr= 1--     -0.1806                -0.0647                -0.5505
 Raman1 Fr= 1--       1.619                  1.960                 15.208
 ROA1   Fr= 1--     -31.632                -12.816               -105.298
 CID1   Fr= 1--     -19.533                 -6.540                 -6.924
 Raman2 Fr= 1--       0.509                  0.616                  3.721
 ROA2   Fr= 1--      -5.018                 -2.168                -17.516
 CID2   Fr= 1--      -9.866                 -3.522                 -4.707
 Raman3 Fr= 1--       1.017                  1.231                  7.442
 ROA3   Fr= 1--     -31.632                -12.816               -105.298
 CID3   Fr= 1--     -31.095                -10.407                -14.149
 RC180  Fr= 1--       0.256                  0.257                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.04    -0.02   0.01   0.03     0.07  -0.01  -0.04
     2   6     0.00   0.00   0.04    -0.02  -0.01   0.01     0.11  -0.01  -0.04
     3   6     0.00   0.00   0.03    -0.02   0.00   0.03    -0.00   0.02   0.00
     4   6     0.02   0.01   0.01    -0.01   0.02   0.02    -0.03  -0.00   0.04
     5   8     0.04  -0.02  -0.03     0.02   0.00  -0.06     0.01  -0.05   0.02
     6   6     0.00   0.02   0.02     0.01   0.00  -0.00     0.03  -0.06  -0.04
     7   8    -0.03   0.00  -0.01     0.01   0.07  -0.02     0.10  -0.03   0.01
     8   1     0.02  -0.03   0.04    -0.01  -0.01   0.03     0.09   0.02  -0.03
     9   8     0.05  -0.05  -0.05    -0.01  -0.04  -0.01     0.09   0.05   0.03
    10   1    -0.05  -0.01   0.04    -0.04  -0.02   0.01     0.17  -0.01  -0.04
    11   1     0.04   0.04   0.03    -0.02   0.03   0.03    -0.02   0.05   0.00
    12   8    -0.05  -0.01  -0.05     0.03  -0.03  -0.01    -0.10   0.04  -0.04
    13   6     0.04   0.01  -0.00    -0.02  -0.02   0.03    -0.07   0.03   0.04
    14   1     0.02   0.04   0.01     0.01   0.09   0.02    -0.00  -0.01   0.04
    15   8    -0.06   0.03  -0.02     0.08  -0.01  -0.00    -0.10  -0.02   0.01
    16   1    -0.03   0.05   0.02    -0.03  -0.01  -0.00     0.07  -0.10  -0.04
    17   1     0.03   0.19  -0.35    -0.02  -0.01   0.14     0.10   0.06  -0.06
    18   1    -0.24   0.15   0.58    -0.09   0.02   0.17     0.10   0.03  -0.05
    19   1     0.20   0.10   0.50     0.00  -0.02  -0.16     0.06   0.07   0.43
    20   8     0.03  -0.01   0.01    -0.05  -0.01  -0.05    -0.15   0.04  -0.06
    21   1     0.06   0.03  -0.00    -0.00  -0.07   0.02    -0.02   0.01   0.04
    22   1     0.04  -0.00  -0.03     0.01  -0.02   0.07    -0.09   0.03   0.03
    23   1    -0.24   0.04   0.01    -0.54   0.19   0.10     0.36  -0.13  -0.06
    24   1    -0.07   0.01  -0.13     0.33  -0.06   0.65     0.21  -0.00   0.63
                     16                     17                     18
                      A                      A                      A
 Frequencies --    394.8273               422.2629               444.2011
 Red. masses --      4.3140                 5.7657                 5.2874
 Frc consts  --      0.3962                 0.6057                 0.6147
 IR Inten    --     14.5487                 4.7259                 2.0418
 RamAct Fr= 1--      1.5431                 4.9631                 9.7527
  Dep-P Fr= 1--      0.7354                 0.5191                 0.1453
  Dep-U Fr= 1--      0.8475                 0.6835                 0.2537
 Alpha2 Fr= 1--      0.0004                 0.0223                 0.1526
 Beta2  Fr= 1--      0.2180                 0.5653                 0.4124
 AlphaG Fr= 1--     -0.0031                 0.0090                 0.0261
 Gamma2 Fr= 1--      0.0633                 0.4575                 0.0397
 Delta2 Fr= 1--     -0.3475                 0.0932                 0.4043
 Raman1 Fr= 1--       6.172                 19.852                 39.011
 ROA1   Fr= 1--      -5.041                 46.907                 16.754
 CID1   Fr= 1--      -0.817                  2.363                  0.429
 Raman2 Fr= 1--       2.616                  6.784                  4.949
 ROA2   Fr= 1--       4.299                 10.235                 -2.281
 CID2   Fr= 1--       1.644                  1.509                 -0.461
 Raman3 Fr= 1--       5.231                 13.568                  9.898
 ROA3   Fr= 1--      -5.041                 46.907                 16.754
 CID3   Fr= 1--      -0.964                  3.457                  1.693
 RC180  Fr= 1--       0.695                  0.367                 -0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.04    -0.14   0.09  -0.07    -0.04   0.17   0.02
     2   6     0.05   0.00   0.15     0.08   0.13   0.02     0.06  -0.00  -0.13
     3   6     0.06   0.09  -0.12    -0.14  -0.15  -0.11    -0.05   0.14   0.10
     4   6    -0.07  -0.03  -0.19    -0.02  -0.14  -0.06    -0.07  -0.04   0.12
     5   8    -0.05   0.02   0.03     0.16  -0.13   0.06    -0.00  -0.15  -0.01
     6   6    -0.04  -0.04   0.14     0.16   0.07   0.05     0.03  -0.19  -0.09
     7   8    -0.05   0.01  -0.01    -0.14   0.10   0.04    -0.08   0.24   0.00
     8   1    -0.09  -0.08   0.04    -0.27   0.11  -0.06     0.04   0.29   0.03
     9   8     0.17  -0.04  -0.06     0.12   0.17   0.02    -0.01  -0.01   0.04
    10   1    -0.06   0.08   0.15     0.11   0.19   0.02     0.17  -0.07  -0.13
    11   1     0.17  -0.03  -0.12    -0.17  -0.28  -0.10    -0.07   0.27   0.09
    12   8     0.07   0.19   0.06    -0.13  -0.15   0.03    -0.04   0.12  -0.05
    13   6    -0.17  -0.11  -0.03    -0.07  -0.07   0.01     0.03  -0.05  -0.06
    14   1    -0.11  -0.16  -0.19     0.00  -0.26  -0.06    -0.18   0.03   0.12
    15   8    -0.01  -0.12  -0.05     0.13   0.09  -0.02     0.02  -0.20   0.03
    16   1    -0.13   0.06   0.13     0.20   0.14   0.05     0.09  -0.34  -0.08
    17   1    -0.02  -0.02  -0.10    -0.13   0.14  -0.03    -0.11   0.11   0.19
    18   1     0.06   0.03   0.10     0.11   0.13  -0.18     0.07  -0.04  -0.01
    19   1    -0.03   0.11  -0.02    -0.09  -0.15   0.17     0.01   0.15   0.04
    20   8     0.02   0.02   0.03     0.00  -0.02  -0.00     0.14  -0.04   0.03
    21   1    -0.44  -0.29  -0.04    -0.17  -0.17   0.00     0.17   0.10  -0.05
    22   1    -0.11  -0.04   0.25    -0.06  -0.04   0.13    -0.05  -0.06  -0.22
    23   1    -0.21  -0.26  -0.03    -0.03   0.08  -0.00    -0.04  -0.10   0.04
    24   1     0.15  -0.06   0.01     0.04  -0.05  -0.04     0.02  -0.05  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --    488.0370               571.5199               601.0251
 Red. masses --      3.8505                 3.5531                 5.0965
 Frc consts  --      0.5403                 0.6838                 1.0847
 IR Inten    --      4.2683                43.9141                 9.8620
 RamAct Fr= 1--      8.0601                 3.0792                 0.1994
  Dep-P Fr= 1--      0.0934                 0.1399                 0.6570
  Dep-U Fr= 1--      0.1708                 0.2454                 0.7930
 Alpha2 Fr= 1--      0.1434                 0.0488                 0.0003
 Beta2  Fr= 1--      0.2295                 0.1260                 0.0264
 AlphaG Fr= 1--     -0.0370                 0.0109                -0.0003
 Gamma2 Fr= 1--     -0.4135                -0.2581                 0.0692
 Delta2 Fr= 1--     -0.0646                -0.1228                 0.0828
 Raman1 Fr= 1--      32.240                 12.317                  0.798
 ROA1   Fr= 1--     -41.763                -28.708                  9.295
 CID1   Fr= 1--      -1.295                 -2.331                 11.654
 Raman2 Fr= 1--       2.754                  1.511                  0.316
 ROA2   Fr= 1--      -9.408                 -5.212                  0.999
 CID2   Fr= 1--      -3.416                 -3.448                  3.160
 Raman3 Fr= 1--       5.508                  3.023                  0.632
 ROA3   Fr= 1--     -41.763                -28.708                  9.295
 CID3   Fr= 1--      -7.583                 -9.497                 14.696
 RC180  Fr= 1--      -0.658                 -0.509                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20   0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.01
     5   8     0.14  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.05   0.15     0.15  -0.07  -0.08     0.01  -0.06  -0.04
     7   8    -0.02  -0.00   0.05    -0.08   0.12  -0.04     0.04   0.05  -0.00
     8   1    -0.30  -0.06  -0.11    -0.05  -0.07   0.17    -0.30  -0.19  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.20   0.07   0.01
    10   1    -0.18   0.18   0.08     0.00  -0.46  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.15     0.31  -0.13  -0.03    -0.38  -0.02  -0.01
    12   8     0.06   0.08   0.03     0.03   0.01   0.01     0.01  -0.16   0.03
    13   6     0.16   0.09   0.10     0.00   0.02   0.02     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.06     0.09  -0.09  -0.15    -0.08   0.30  -0.01
    15   8    -0.08  -0.13  -0.03    -0.12   0.02   0.02    -0.11  -0.08   0.02
    16   1    -0.12   0.01   0.15     0.34  -0.16  -0.07     0.00  -0.14  -0.04
    17   1    -0.04   0.11   0.06    -0.06   0.03  -0.04    -0.02   0.23   0.11
    18   1    -0.08   0.02  -0.16    -0.20   0.03  -0.06    -0.01   0.12  -0.07
    19   1     0.02   0.06  -0.06    -0.01  -0.02  -0.01     0.18   0.03  -0.11
    20   8    -0.06  -0.01  -0.05    -0.05   0.01  -0.01     0.10  -0.05   0.00
    21   1     0.29   0.10   0.10    -0.22  -0.16   0.01     0.02  -0.11  -0.02
    22   1     0.20   0.05   0.02     0.13   0.04   0.25     0.21  -0.04   0.09
    23   1    -0.02  -0.38  -0.05     0.16  -0.01  -0.02     0.01  -0.11  -0.00
    24   1    -0.09   0.06   0.17    -0.04   0.03   0.11     0.08  -0.05  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    631.5903               638.7938               883.7041
 Red. masses --      3.0272                 4.1013                 2.0962
 Frc consts  --      0.7115                 0.9860                 0.9645
 IR Inten    --     18.0496                22.1216                83.6273
 RamAct Fr= 1--      0.4482                 0.2020                 3.5393
  Dep-P Fr= 1--      0.5486                 0.7240                 0.4437
  Dep-U Fr= 1--      0.7085                 0.8399                 0.6146
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0223
 Beta2  Fr= 1--      0.0529                 0.0283                 0.3626
 AlphaG Fr= 1--     -0.0026                 0.0003                -0.0474
 Gamma2 Fr= 1--     -0.0082                 0.1109                -0.5978
 Delta2 Fr= 1--      0.0466                -0.0205                -0.2736
 Raman1 Fr= 1--       1.793                  0.808                 14.157
 ROA1   Fr= 1--       0.701                  9.987                -66.148
 CID1   Fr= 1--       0.391                 12.363                 -4.672
 Raman2 Fr= 1--       0.635                  0.339                  4.351
 ROA2   Fr= 1--      -0.571                  2.825                -12.160
 CID2   Fr= 1--      -0.899                  8.326                 -2.795
 Raman3 Fr= 1--       1.270                  0.679                  8.702
 ROA3   Fr= 1--       0.701                  9.987                -66.148
 CID3   Fr= 1--       0.552                 14.719                 -7.602
 RC180  Fr= 1--       0.417                  0.680                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.06  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.07   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.01   0.11  -0.09    -0.14   0.06   0.05     0.01  -0.05   0.08
     5   8     0.09   0.09  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.02   0.14     0.14   0.03   0.06     0.09   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.32   0.30  -0.05    -0.07  -0.20  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.38  -0.08    -0.11  -0.08   0.02    -0.01  -0.02  -0.01
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.00
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.09    -0.12  -0.12   0.04
    14   1    -0.16   0.21  -0.09    -0.39   0.16   0.04     0.27   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.01    -0.03  -0.01   0.00
    16   1     0.05  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.03     0.06   0.12   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.08    -0.04   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.07    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02   0.00
    21   1    -0.25  -0.19  -0.05    -0.23  -0.17  -0.10     0.26   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.03    -0.40  -0.16  -0.51
    23   1    -0.04  -0.39  -0.04     0.06  -0.00  -0.04    -0.05  -0.21  -0.01
    24   1     0.03  -0.01   0.05     0.16  -0.10  -0.07     0.22  -0.14  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    993.4281              1011.5329              1019.5871
 Red. masses --      3.8855                 3.6297                 4.0798
 Frc consts  --      2.2593                 2.1881                 2.4988
 IR Inten    --    138.6037                34.4617                38.0624
 RamAct Fr= 1--      0.4803                 1.0541                 2.2238
  Dep-P Fr= 1--      0.3380                 0.6680                 0.7015
  Dep-U Fr= 1--      0.5052                 0.8010                 0.8246
 Alpha2 Fr= 1--      0.0044                 0.0015                 0.0019
 Beta2  Fr= 1--      0.0404                 0.1407                 0.3056
 AlphaG Fr= 1--      0.0066                 0.0133                -0.0002
 Gamma2 Fr= 1--     -0.0328                -0.3661                 0.9282
 Delta2 Fr= 1--      0.0103                -0.1850                 0.5011
 Raman1 Fr= 1--       1.921                  4.216                  8.895
 ROA1   Fr= 1--      -2.825                -41.069                105.145
 CID1   Fr= 1--      -1.471                 -9.741                 11.820
 Raman2 Fr= 1--       0.485                  1.689                  3.668
 ROA2   Fr= 1--      -0.870                 -7.307                 18.268
 CID2   Fr= 1--      -1.794                 -4.327                  4.981
 Raman3 Fr= 1--       0.970                  3.377                  7.335
 ROA3   Fr= 1--      -2.825                -41.069                105.145
 CID3   Fr= 1--      -2.911                -12.161                 14.335
 RC180  Fr= 1--       0.010                  0.602                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.12   0.22     0.16   0.07   0.03     0.20   0.06  -0.13
     2   6     0.03   0.19   0.06     0.11  -0.17  -0.05     0.06  -0.04   0.22
     3   6    -0.15   0.07  -0.13    -0.10   0.04  -0.10     0.07   0.07  -0.12
     4   6    -0.07   0.00  -0.05    -0.13  -0.04  -0.03     0.02   0.09   0.10
     5   8     0.01   0.00   0.01    -0.06  -0.01  -0.06     0.10   0.01   0.06
     6   6     0.09   0.01  -0.11    -0.00  -0.04   0.18    -0.09  -0.06  -0.14
     7   8     0.09  -0.10  -0.06    -0.00   0.05   0.02    -0.06   0.08   0.07
     8   1    -0.01  -0.07   0.20     0.22   0.24   0.04    -0.08  -0.02  -0.11
     9   8    -0.09  -0.01  -0.05    -0.05  -0.02   0.00    -0.09  -0.04  -0.06
    10   1    -0.10  -0.03   0.05     0.07  -0.24  -0.06     0.03  -0.05   0.20
    11   1    -0.02  -0.06  -0.12    -0.10  -0.05  -0.10    -0.27   0.07  -0.11
    12   8    -0.03  -0.05   0.05    -0.02  -0.03   0.02    -0.05  -0.10   0.04
    13   6    -0.01   0.03   0.09     0.04   0.10   0.09    -0.07  -0.03  -0.08
    14   1     0.18  -0.16  -0.04    -0.04  -0.13  -0.03    -0.03   0.13   0.10
    15   8    -0.02  -0.10   0.03     0.03   0.14  -0.03    -0.02  -0.02   0.00
    16   1     0.16  -0.05  -0.10    -0.08  -0.04   0.17    -0.16   0.13  -0.13
    17   1     0.16  -0.28  -0.18     0.13  -0.32  -0.21     0.09  -0.35  -0.22
    18   1     0.40  -0.10   0.23    -0.30   0.02  -0.14    -0.20  -0.02  -0.11
    19   1     0.18   0.19  -0.14     0.08   0.08  -0.05    -0.07  -0.14   0.07
    20   8     0.04  -0.04  -0.03     0.05  -0.06  -0.04     0.00   0.00   0.02
    21   1     0.17   0.18   0.09     0.12   0.02   0.08    -0.13  -0.09  -0.08
    22   1    -0.02  -0.04  -0.14     0.05   0.09   0.08    -0.03  -0.02   0.01
    23   1     0.01   0.16   0.04    -0.09  -0.40  -0.05     0.12   0.43   0.01
    24   1     0.06  -0.06  -0.05    -0.12   0.05   0.07     0.07  -0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1047.9418              1064.8384              1083.2026
 Red. masses --      2.9964                 3.6970                 3.6514
 Frc consts  --      1.9388                 2.4699                 2.5242
 IR Inten    --    183.9132               328.9216                11.5770
 RamAct Fr= 1--      2.3593                 3.8696                 1.4232
  Dep-P Fr= 1--      0.6403                 0.2685                 0.2692
  Dep-U Fr= 1--      0.7807                 0.4233                 0.4242
 Alpha2 Fr= 1--      0.0047                 0.0435                 0.0160
 Beta2  Fr= 1--      0.3070                 0.2730                 0.1006
 AlphaG Fr= 1--     -0.0174                 0.0128                -0.0042
 Gamma2 Fr= 1--     -0.2960                 0.8537                 0.7178
 Delta2 Fr= 1--     -0.0217                 0.9572                 0.6073
 Raman1 Fr= 1--       9.437                 15.479                  5.693
 ROA1   Fr= 1--     -29.109                112.588                 88.347
 CID1   Fr= 1--      -3.084                  7.274                 15.519
 Raman2 Fr= 1--       3.684                  3.276                  1.208
 ROA2   Fr= 1--      -6.929                 12.831                 12.370
 CID2   Fr= 1--      -1.881                  3.917                 10.244
 Raman3 Fr= 1--       7.368                  6.552                  2.415
 ROA3   Fr= 1--     -29.109                112.588                 88.347
 CID3   Fr= 1--      -3.951                 17.183                 36.582
 RC180  Fr= 1--       0.561                 -0.153                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02     0.01  -0.06   0.01     0.01  -0.11   0.11
     2   6    -0.04   0.07   0.01     0.12   0.07   0.03    -0.05   0.04  -0.17
     3   6     0.07  -0.13  -0.06     0.09  -0.00  -0.08     0.06  -0.03  -0.15
     4   6    -0.15  -0.08   0.15    -0.06   0.06   0.08    -0.03   0.28   0.04
     5   8     0.05   0.10  -0.05    -0.18  -0.06  -0.07     0.03  -0.12   0.07
     6   6     0.02  -0.02  -0.04     0.21   0.03   0.05    -0.12  -0.04   0.05
     7   8    -0.01   0.00   0.00    -0.02   0.02   0.01    -0.02   0.03  -0.00
     8   1    -0.11  -0.09   0.02    -0.28  -0.25   0.01    -0.12  -0.10   0.11
     9   8     0.01   0.01  -0.00    -0.10   0.01  -0.05     0.05   0.02   0.03
    10   1    -0.05   0.06   0.01     0.05   0.02   0.02    -0.08   0.00  -0.16
    11   1     0.07  -0.02  -0.06    -0.03   0.10  -0.08     0.19  -0.07  -0.15
    12   8     0.05   0.06  -0.03     0.01  -0.02   0.01     0.02  -0.03   0.02
    13   6    -0.05   0.16   0.00     0.15  -0.09  -0.10    -0.10   0.00   0.04
    14   1    -0.26   0.05   0.14    -0.39   0.09   0.07     0.00   0.35   0.05
    15   8    -0.02  -0.02   0.01     0.00   0.00   0.01     0.04   0.06  -0.02
    16   1     0.09  -0.08  -0.03     0.18  -0.06   0.04    -0.13  -0.13   0.05
    17   1    -0.01  -0.03  -0.01     0.00  -0.04  -0.04     0.01  -0.09  -0.05
    18   1     0.14  -0.02   0.07     0.22  -0.06   0.15     0.30  -0.03   0.15
    19   1    -0.29  -0.32   0.22    -0.19  -0.25   0.16    -0.14  -0.20   0.12
    20   8     0.10  -0.12  -0.04    -0.07   0.10   0.07     0.03  -0.03  -0.02
    21   1    -0.08  -0.25  -0.01     0.04  -0.21  -0.08     0.00   0.24   0.04
    22   1    -0.16   0.30   0.30     0.29  -0.07   0.15     0.11  -0.17  -0.17
    23   1     0.00  -0.03   0.00    -0.09  -0.21   0.01    -0.02  -0.11  -0.03
    24   1    -0.30   0.14   0.20    -0.00   0.05  -0.01     0.28  -0.19  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1087.4936              1097.4176              1104.4585
 Red. masses --      4.4059                 2.5325                 3.2920
 Frc consts  --      3.0700                 1.7970                 2.3660
 IR Inten    --    325.6616                 6.1291               256.4754
 RamAct Fr= 1--     10.3266                 7.7335                 9.4671
  Dep-P Fr= 1--      0.4629                 0.4993                 0.5759
  Dep-U Fr= 1--      0.6329                 0.6660                 0.7309
 Alpha2 Fr= 1--      0.0600                 0.0383                 0.0310
 Beta2  Fr= 1--      1.0893                 0.8585                 1.1532
 AlphaG Fr= 1--     -0.0460                 0.0262                -0.0077
 Gamma2 Fr= 1--     -1.3674                -0.3195                -0.4641
 Delta2 Fr= 1--     -0.4997                -0.0927                -1.0006
 Raman1 Fr= 1--      41.306                 30.934                 37.868
 ROA1   Fr= 1--    -147.260                -33.642                -76.574
 CID1   Fr= 1--      -3.565                 -1.088                 -2.022
 Raman2 Fr= 1--      13.071                 10.301                 13.839
 ROA2   Fr= 1--     -28.821                 -6.928                 -3.134
 CID2   Fr= 1--      -2.205                 -0.672                 -0.227
 Raman3 Fr= 1--      26.142                 20.603                 27.677
 ROA3   Fr= 1--    -147.260                -33.642                -76.574
 CID3   Fr= 1--      -5.633                 -1.633                 -2.767
 RC180  Fr= 1--       0.266                  0.332                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10   0.10    -0.03  -0.06   0.08    -0.15   0.24   0.02
     2   6    -0.10  -0.02  -0.06     0.07   0.04  -0.10     0.01  -0.10  -0.02
     3   6    -0.10  -0.14  -0.08     0.02   0.14  -0.04     0.15   0.08  -0.07
     4   6    -0.12  -0.07   0.07     0.11  -0.10   0.08    -0.02   0.05   0.07
     5   8     0.15   0.11   0.00     0.06   0.06  -0.01     0.00  -0.04  -0.01
     6   6    -0.15  -0.04  -0.02    -0.12  -0.03   0.04    -0.01   0.12   0.03
     7   8     0.04  -0.02  -0.02     0.00  -0.00  -0.02     0.07  -0.12  -0.08
     8   1     0.06   0.22   0.10    -0.20  -0.18   0.08    -0.21   0.32   0.01
     9   8     0.07  -0.00   0.04    -0.02   0.01  -0.01     0.03  -0.02   0.02
    10   1    -0.11  -0.15  -0.05     0.08  -0.12  -0.11     0.11  -0.31  -0.03
    11   1    -0.16  -0.10  -0.08    -0.11   0.27  -0.03     0.34   0.06  -0.06
    12   8     0.04   0.07  -0.03    -0.04  -0.07   0.06    -0.03  -0.08   0.03
    13   6     0.18  -0.17  -0.07    -0.01  -0.02  -0.12    -0.02   0.01  -0.03
    14   1    -0.34  -0.01   0.05     0.20  -0.17   0.07    -0.05   0.01   0.07
    15   8     0.00   0.02  -0.01     0.02   0.04  -0.01    -0.01  -0.05   0.02
    16   1    -0.08  -0.07  -0.01    -0.17  -0.18   0.04    -0.03   0.18   0.03
    17   1     0.14  -0.32  -0.19    -0.04   0.11   0.07    -0.02   0.13   0.10
    18   1    -0.03   0.01  -0.04     0.26  -0.05   0.14    -0.41   0.07  -0.22
    19   1    -0.08  -0.05   0.05     0.14   0.14  -0.10    -0.20  -0.27   0.14
    20   8    -0.11   0.14   0.08    -0.01   0.02   0.02     0.01  -0.01   0.00
    21   1     0.15  -0.16  -0.05    -0.12  -0.31  -0.12    -0.01  -0.07  -0.03
    22   1     0.38  -0.23   0.01    -0.19   0.16   0.16     0.00   0.03   0.05
    23   1     0.03  -0.01  -0.02    -0.07  -0.29  -0.02    -0.00   0.01   0.02
    24   1     0.15  -0.02  -0.10    -0.20   0.14   0.13    -0.02   0.01   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1106.9090              1140.1491              1158.5632
 Red. masses --      3.4022                 3.7893                 2.9249
 Frc consts  --      2.4560                 2.9023                 2.3131
 IR Inten    --     86.1788                 8.6812                40.3391
 RamAct Fr= 1--     11.8420                 8.0747                 4.4154
  Dep-P Fr= 1--      0.5682                 0.7411                 0.5351
  Dep-U Fr= 1--      0.7247                 0.8513                 0.6972
 Alpha2 Fr= 1--      0.0407                 0.0012                 0.0183
 Beta2  Fr= 1--      1.4303                 1.1457                 0.5131
 AlphaG Fr= 1--     -0.0172                -0.0019                -0.0088
 Gamma2 Fr= 1--      1.1570                -1.6714                 2.3666
 Delta2 Fr= 1--      0.9412                -0.9487                 1.5975
 Raman1 Fr= 1--      47.368                 32.299                 17.661
 ROA1   Fr= 1--     141.190               -190.819                278.312
 CID1   Fr= 1--       2.981                 -5.908                 15.758
 Raman2 Fr= 1--      17.163                 13.748                  6.157
 ROA2   Fr= 1--      20.239                -32.525                 44.018
 CID2   Fr= 1--       1.179                 -2.366                  7.150
 Raman3 Fr= 1--      34.327                 27.496                 12.313
 ROA3   Fr= 1--     141.190               -190.819                278.312
 CID3   Fr= 1--       4.113                 -6.940                 22.602
 RC180  Fr= 1--       0.449                  0.703                  0.394
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.04   0.03     0.04  -0.07  -0.06     0.04  -0.13  -0.00
     2   6    -0.20  -0.06  -0.10    -0.23   0.01   0.01     0.13  -0.03  -0.09
     3   6    -0.07   0.01  -0.07     0.12   0.24  -0.06     0.01   0.04  -0.01
     4   6     0.10   0.01   0.06    -0.15  -0.08  -0.05    -0.11  -0.07  -0.04
     5   8    -0.06  -0.05  -0.04     0.03   0.03  -0.03     0.08   0.02   0.00
     6   6     0.11   0.21   0.01     0.06  -0.11  -0.03    -0.09   0.22   0.01
     7   8    -0.01   0.06   0.04    -0.02   0.00   0.02    -0.04   0.04   0.02
     8   1     0.12   0.09   0.03     0.13  -0.09  -0.07     0.05  -0.20  -0.00
     9   8     0.10   0.01   0.07     0.10   0.01   0.05    -0.05   0.01  -0.02
    10   1    -0.26  -0.15  -0.10    -0.37   0.23   0.02     0.25  -0.10  -0.11
    11   1    -0.30   0.09  -0.07     0.32   0.25  -0.06     0.06   0.07  -0.01
    12   8    -0.01  -0.00   0.02    -0.06  -0.12   0.07     0.00  -0.01   0.01
    13   6    -0.04   0.01  -0.10     0.08  -0.00   0.08     0.04   0.02   0.08
    14   1     0.14  -0.07   0.07    -0.26  -0.23  -0.06    -0.35  -0.16  -0.05
    15   8    -0.03  -0.12   0.04    -0.01   0.04  -0.02    -0.02  -0.13   0.03
    16   1     0.20   0.27   0.01     0.26  -0.14  -0.04    -0.15   0.49   0.01
    17   1     0.14  -0.40  -0.24    -0.08   0.18   0.13    -0.10   0.22   0.13
    18   1    -0.03   0.04  -0.01     0.01   0.03  -0.01     0.07  -0.02   0.05
    19   1     0.11   0.13  -0.08     0.05   0.01  -0.02    -0.01  -0.01   0.02
    20   8     0.01  -0.01   0.01    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    21   1    -0.14  -0.21  -0.10     0.17   0.11   0.09     0.00   0.19   0.09
    22   1    -0.13   0.13   0.13     0.15  -0.07  -0.03     0.24  -0.11  -0.04
    23   1    -0.00   0.10   0.05     0.06   0.13  -0.02     0.04   0.22   0.05
    24   1    -0.10   0.06   0.06    -0.02   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.8139              1234.6779              1237.0501
 Red. masses --      1.2871                 1.2584                 1.1763
 Frc consts  --      1.1007                 1.1302                 1.0605
 IR Inten    --     31.2088                22.3306                17.3294
 RamAct Fr= 1--      0.8445                 5.7318                 4.4910
  Dep-P Fr= 1--      0.7141                 0.6544                 0.5836
  Dep-U Fr= 1--      0.8332                 0.7911                 0.7370
 Alpha2 Fr= 1--      0.0005                 0.0098                 0.0140
 Beta2  Fr= 1--      0.1173                 0.7558                 0.5517
 AlphaG Fr= 1--      0.0030                 0.0210                -0.0174
 Gamma2 Fr= 1--      0.9832                -3.9171                 0.5795
 Delta2 Fr= 1--      1.0463                -2.3900                 0.9747
 Raman1 Fr= 1--       3.378                 22.927                 17.964
 ROA1   Fr= 1--     127.869               -452.518                 86.825
 CID1   Fr= 1--      37.855                -19.737                  4.833
 Raman2 Fr= 1--       1.407                  9.069                  6.620
 ROA2   Fr= 1--      15.227                -74.890                  6.111
 CID2   Fr= 1--      10.821                 -8.258                  0.923
 Raman3 Fr= 1--       2.814                 18.138                 13.240
 ROA3   Fr= 1--     127.869               -452.518                 86.825
 CID3   Fr= 1--      45.433                -24.949                  6.558
 RC180  Fr= 1--       0.666                  0.582                  0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.04    -0.01  -0.01   0.04    -0.04  -0.04   0.05
     2   6     0.04  -0.02  -0.00     0.00   0.00   0.01     0.02   0.01  -0.05
     3   6    -0.04  -0.01  -0.06    -0.02  -0.00  -0.03     0.03   0.01   0.03
     4   6    -0.04   0.05   0.05     0.05  -0.03   0.06     0.01  -0.03  -0.03
     5   8     0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.01   0.00
     6   6     0.02  -0.02   0.00     0.03  -0.02  -0.01     0.00  -0.02   0.01
     7   8    -0.01   0.00  -0.01    -0.00  -0.01  -0.01     0.03   0.02  -0.00
     8   1     0.39   0.16   0.04     0.23   0.14   0.04    -0.49   0.03   0.07
     9   8    -0.01  -0.01  -0.00     0.00  -0.01  -0.00     0.01  -0.02   0.01
    10   1     0.08   0.46   0.02     0.06   0.26   0.03     0.11   0.53  -0.02
    11   1     0.36  -0.18  -0.07    -0.06   0.22  -0.03    -0.06   0.13   0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01    -0.01  -0.00   0.01
    13   6     0.01  -0.04  -0.05    -0.03   0.07  -0.03     0.01  -0.00   0.03
    14   1     0.20  -0.07   0.05     0.07  -0.24   0.07    -0.15   0.09  -0.03
    15   8    -0.01  -0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.01  -0.01
    16   1    -0.07   0.16  -0.00    -0.07  -0.07  -0.02     0.01   0.07   0.01
    17   1    -0.07   0.18   0.11    -0.04   0.09   0.06     0.15  -0.37  -0.23
    18   1    -0.18   0.02  -0.10    -0.15   0.02  -0.08    -0.32   0.04  -0.18
    19   1     0.09   0.11  -0.07    -0.06  -0.07   0.04     0.03   0.04  -0.02
    20   8     0.00   0.01   0.02    -0.02  -0.02  -0.00     0.00  -0.00  -0.01
    21   1     0.21  -0.22  -0.05    -0.41   0.15  -0.03    -0.03   0.06   0.03
    22   1    -0.16   0.07   0.03     0.46  -0.13   0.08    -0.05   0.01  -0.02
    23   1     0.06   0.22  -0.00    -0.01  -0.05  -0.00     0.06   0.16  -0.01
    24   1    -0.13   0.10   0.08     0.35  -0.25  -0.21    -0.03   0.02   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1256.3277              1280.4682              1319.6081
 Red. masses --      1.1844                 1.3276                 1.2669
 Frc consts  --      1.1014                 1.2824                 1.2998
 IR Inten    --     24.9763                70.4233                42.1765
 RamAct Fr= 1--      4.4770                 4.0675                 2.5439
  Dep-P Fr= 1--      0.3808                 0.1935                 0.7372
  Dep-U Fr= 1--      0.5516                 0.3243                 0.8487
 Alpha2 Fr= 1--      0.0355                 0.0562                 0.0006
 Beta2  Fr= 1--      0.4116                 0.2198                 0.3598
 AlphaG Fr= 1--      0.0661                 0.0113                 0.0013
 Gamma2 Fr= 1--      0.6528                -1.1571                 2.4652
 Delta2 Fr= 1--     -0.3721                -1.2484                 0.8502
 Raman1 Fr= 1--      17.908                 16.270                 10.176
 ROA1   Fr= 1--      50.761               -151.031                263.864
 CID1   Fr= 1--       2.835                 -9.283                 25.931
 Raman2 Fr= 1--       4.939                  2.638                  4.318
 ROA2   Fr= 1--      18.644                -17.783                 52.362
 CID2   Fr= 1--       3.775                 -6.741                 12.126
 Raman3 Fr= 1--       9.878                  5.276                  8.636
 ROA3   Fr= 1--      50.761               -151.031                263.864
 CID3   Fr= 1--       5.139                -28.628                 30.553
 RC180  Fr= 1--       0.103                 -0.351                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.01  -0.04   0.01    -0.01  -0.01  -0.03
     2   6     0.01  -0.02  -0.01    -0.05   0.08   0.03    -0.00   0.00  -0.01
     3   6    -0.03   0.00  -0.02    -0.02  -0.00  -0.03    -0.04   0.04   0.08
     4   6     0.03  -0.01  -0.07    -0.01   0.01  -0.03    -0.08   0.03  -0.03
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02     0.01  -0.00   0.01
     6   6     0.00  -0.02   0.02    -0.02   0.08  -0.06     0.01   0.01  -0.01
     7   8    -0.01  -0.01  -0.01    -0.01   0.01   0.01     0.01   0.02   0.02
     8   1     0.23   0.14   0.05     0.24  -0.08  -0.00    -0.14  -0.14  -0.03
     9   8    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00   0.00
    10   1    -0.10   0.08  -0.00     0.56  -0.04   0.05    -0.00  -0.00  -0.02
    11   1    -0.36   0.53  -0.03     0.01   0.19  -0.03     0.10   0.10   0.07
    12   8     0.04  -0.01   0.00     0.01  -0.00   0.01     0.04  -0.00  -0.02
    13   6     0.02  -0.03   0.02     0.01  -0.02   0.01    -0.02   0.01  -0.03
    14   1     0.02   0.20  -0.08    -0.04   0.11  -0.03     0.56  -0.42  -0.02
    15   8    -0.00  -0.00  -0.01     0.01   0.00   0.03     0.00  -0.00   0.00
    16   1     0.01   0.12   0.02     0.13  -0.31  -0.05    -0.13  -0.02  -0.01
    17   1    -0.06   0.15   0.10     0.00  -0.02  -0.01     0.09  -0.21  -0.12
    18   1     0.06  -0.01   0.03    -0.36   0.05  -0.19    -0.00  -0.00  -0.00
    19   1    -0.29  -0.37   0.23    -0.03  -0.04   0.03    -0.25  -0.32   0.19
    20   8     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.02
    21   1     0.05   0.01   0.02     0.09  -0.01   0.01     0.26  -0.18  -0.03
    22   1    -0.18   0.04  -0.06    -0.08   0.01  -0.03     0.15  -0.04   0.04
    23   1     0.05   0.18  -0.00    -0.13  -0.45   0.01    -0.02  -0.04   0.00
    24   1    -0.13   0.09   0.07    -0.08   0.06   0.05     0.03  -0.02  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1321.9317              1343.4917              1362.2045
 Red. masses --      1.2160                 1.2444                 1.2502
 Frc consts  --      1.2520                 1.3233                 1.3668
 IR Inten    --      9.9736                54.7827                19.9873
 RamAct Fr= 1--      3.4760                 2.4252                 1.7128
  Dep-P Fr= 1--      0.7499                 0.5740                 0.2540
  Dep-U Fr= 1--      0.8571                 0.7293                 0.4051
 Alpha2 Fr= 1--      0.0000                 0.0080                 0.0201
 Beta2  Fr= 1--      0.4965                 0.2948                 0.1156
 AlphaG Fr= 1--      0.0000                 0.0011                 0.0093
 Gamma2 Fr= 1--      0.0503                -0.9497                -0.4656
 Delta2 Fr= 1--      0.1338                 0.8821                -0.2756
 Raman1 Fr= 1--      13.904                  9.701                  6.851
 ROA1   Fr= 1--       9.110                -62.948                -53.514
 CID1   Fr= 1--       0.655                 -6.489                 -7.811
 Raman2 Fr= 1--       5.959                  3.537                  1.388
 ROA2   Fr= 1--       0.137                -29.850                 -8.969
 CID2   Fr= 1--       0.023                 -8.438                 -6.463
 Raman3 Fr= 1--      11.917                  7.075                  2.775
 ROA3   Fr= 1--       9.110                -62.948                -53.514
 CID3   Fr= 1--       0.764                 -8.897                -19.283
 RC180  Fr= 1--       0.714                  0.459                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6     0.01   0.02  -0.01    -0.03  -0.04   0.05     0.03  -0.01  -0.01
     3   6    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.02  -0.02  -0.02
     4   6    -0.03  -0.04   0.00    -0.00  -0.03   0.00    -0.01  -0.08  -0.02
     5   8    -0.02  -0.01  -0.02     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6    -0.07  -0.02   0.07    -0.02  -0.01   0.02     0.03   0.02  -0.05
     7   8    -0.01  -0.01   0.00     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.04  -0.27  -0.00     0.04   0.48  -0.02     0.01  -0.18  -0.03
     9   8     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.00  -0.00   0.02
    10   1     0.13  -0.03  -0.00     0.32  -0.09   0.06    -0.36   0.05  -0.03
    11   1    -0.03  -0.05   0.00     0.36   0.31  -0.02     0.26   0.23  -0.03
    12   8    -0.00   0.00  -0.00    -0.00  -0.00   0.02    -0.01  -0.00   0.02
    13   6    -0.01   0.03  -0.03     0.00   0.01  -0.01    -0.01   0.05  -0.02
    14   1     0.33   0.30   0.00     0.05   0.16  -0.00     0.11   0.60  -0.02
    15   8    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.02
    16   1     0.71   0.04   0.08     0.21   0.13   0.02    -0.28   0.06  -0.06
    17   1    -0.05   0.11   0.07     0.11  -0.27  -0.16     0.01  -0.01  -0.01
    18   1    -0.11   0.01  -0.05     0.39  -0.05   0.20    -0.08   0.01  -0.04
    19   1     0.01   0.02  -0.01     0.04   0.05  -0.03     0.07   0.09  -0.05
    20   8    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.03  -0.09  -0.03    -0.00  -0.02  -0.01     0.22  -0.17  -0.02
    22   1     0.17  -0.03   0.05     0.04  -0.00   0.02     0.07   0.05   0.08
    23   1     0.10   0.26  -0.01     0.00   0.02   0.01    -0.06  -0.20   0.01
    24   1     0.10  -0.07  -0.06     0.04  -0.03  -0.02     0.20  -0.15  -0.12
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.0372              1386.3744              1403.9257
 Red. masses --      1.2755                 1.2210                 1.3974
 Frc consts  --      1.4126                 1.3827                 1.6227
 IR Inten    --      1.2498                32.0402                 7.4278
 RamAct Fr= 1--      3.7526                 7.3140                 3.6144
  Dep-P Fr= 1--      0.5412                 0.7385                 0.7496
  Dep-U Fr= 1--      0.7023                 0.8496                 0.8569
 Alpha2 Fr= 1--      0.0151                 0.0014                 0.0000
 Beta2  Fr= 1--      0.4393                 1.0356                 0.5162
 AlphaG Fr= 1--     -0.0146                 0.0188                -0.0006
 Gamma2 Fr= 1--     -0.4065                -0.0418                 0.4792
 Delta2 Fr= 1--     -0.2787                -1.6345                -1.3669
 Raman1 Fr= 1--      15.010                 29.256                 14.458
 ROA1   Fr= 1--     -47.944                -56.314                  2.268
 CID1   Fr= 1--      -3.194                 -1.925                  0.157
 Raman2 Fr= 1--       5.271                 12.427                  6.194
 ROA2   Fr= 1--      -7.527                 12.074                 22.437
 CID2   Fr= 1--      -1.428                  0.972                  3.622
 Raman3 Fr= 1--      10.542                 24.855                 12.389
 ROA3   Fr= 1--     -47.944                -56.314                  2.268
 CID3   Fr= 1--      -4.548                 -2.266                  0.183
 RC180  Fr= 1--       0.405                  0.699                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.00   0.00     0.02   0.03  -0.00
     2   6    -0.03  -0.04   0.02    -0.03   0.04  -0.01     0.05  -0.09   0.02
     3   6     0.07   0.04   0.01     0.01  -0.02  -0.00    -0.06   0.00   0.01
     4   6    -0.04  -0.02  -0.03     0.04   0.02  -0.02     0.06   0.04  -0.00
     5   8     0.01  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.02  -0.03   0.06    -0.08   0.06  -0.05
     7   8    -0.01  -0.01  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.22   0.49   0.09     0.07  -0.06  -0.01    -0.07  -0.05  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.19  -0.00    -0.33   0.35   0.02
    11   1    -0.47  -0.32   0.03    -0.08   0.10  -0.01     0.20   0.03   0.00
    12   8    -0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    13   6    -0.02   0.04  -0.01    -0.01   0.06  -0.00     0.01   0.01   0.01
    14   1     0.11   0.11  -0.02    -0.30  -0.19  -0.03    -0.29  -0.25  -0.01
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.01   0.02
    16   1     0.03   0.06  -0.05    -0.15  -0.12   0.06     0.50  -0.17  -0.04
    17   1    -0.07   0.18   0.11     0.01  -0.01  -0.01    -0.01   0.02   0.01
    18   1     0.11  -0.01   0.05    -0.04   0.01  -0.02     0.11  -0.02   0.06
    19   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.04  -0.03   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.42  -0.22  -0.01     0.10  -0.03   0.00
    22   1     0.08   0.01   0.07    -0.24   0.23   0.13    -0.25   0.16   0.05
    23   1    -0.07  -0.22   0.01     0.09   0.30  -0.02    -0.07  -0.25   0.01
    24   1     0.12  -0.09  -0.07     0.35  -0.27  -0.21     0.17  -0.13  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1419.5659              1429.6532              1434.9620
 Red. masses --      1.5021                 1.4966                 1.2623
 Frc consts  --      1.7834                 1.8023                 1.5315
 IR Inten    --     13.7647                41.1161                35.1341
 RamAct Fr= 1--      7.0974                 5.0776                 1.8679
  Dep-P Fr= 1--      0.7494                 0.6371                 0.6617
  Dep-U Fr= 1--      0.8567                 0.7783                 0.7964
 Alpha2 Fr= 1--      0.0001                 0.0104                 0.0029
 Beta2  Fr= 1--      1.0134                 0.6587                 0.2479
 AlphaG Fr= 1--      0.0011                -0.0219                -0.0234
 Gamma2 Fr= 1--      1.1167                -1.2804                -0.1861
 Delta2 Fr= 1--      1.3762                -0.2274                 0.0199
 Raman1 Fr= 1--      28.390                 20.310                  7.472
 ROA1   Fr= 1--     151.244               -130.198                -17.229
 CID1   Fr= 1--       5.327                 -6.410                 -2.306
 Raman2 Fr= 1--      12.161                  7.904                  2.975
 ROA2   Fr= 1--      15.793                -28.911                 -4.625
 CID2   Fr= 1--       1.299                 -3.658                 -1.555
 Raman3 Fr= 1--      24.322                 15.808                  5.950
 ROA3   Fr= 1--     151.244               -130.198                -17.229
 CID3   Fr= 1--       6.218                 -8.236                 -2.895
 RC180  Fr= 1--       0.713                  0.557                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.06   0.02     0.09   0.07   0.01    -0.06   0.04   0.01
     2   6    -0.10  -0.07  -0.02    -0.05  -0.06  -0.00    -0.02  -0.00  -0.02
     3   6    -0.08   0.05   0.00    -0.02  -0.09   0.00     0.03   0.00  -0.01
     4   6     0.01  -0.03   0.01     0.03   0.02  -0.00     0.04   0.01  -0.00
     5   8     0.00   0.00   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.01   0.01    -0.01  -0.09  -0.03
     7   8    -0.01  -0.01  -0.01    -0.02  -0.02  -0.02     0.01   0.01   0.02
     8   1    -0.22  -0.26   0.00    -0.31  -0.12   0.01     0.26  -0.33  -0.03
     9   8    -0.00   0.01  -0.02    -0.01   0.01  -0.01     0.00   0.00  -0.00
    10   1     0.50   0.21   0.03     0.20   0.17   0.02     0.13   0.07  -0.01
    11   1     0.21  -0.22   0.01     0.13   0.40  -0.02    -0.15  -0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.00  -0.00  -0.00
    13   6     0.07  -0.00  -0.00    -0.10  -0.01   0.00    -0.04   0.00   0.00
    14   1     0.05   0.19   0.01    -0.13  -0.15   0.00    -0.16  -0.11  -0.01
    15   8    -0.00   0.01   0.00    -0.00   0.00  -0.01     0.01   0.02   0.04
    16   1    -0.23   0.15  -0.01    -0.08  -0.10   0.01     0.11   0.72  -0.07
    17   1    -0.05   0.12   0.08    -0.09   0.22   0.13     0.05  -0.12  -0.07
    18   1     0.18  -0.02   0.10     0.12  -0.02   0.07     0.05  -0.01   0.02
    19   1    -0.13  -0.17   0.11     0.12   0.16  -0.09     0.00   0.00  -0.00
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00   0.00   0.00
    21   1    -0.30   0.07  -0.01     0.33  -0.06   0.01     0.19  -0.02   0.00
    22   1    -0.25   0.16  -0.00     0.36  -0.24  -0.02     0.09  -0.05   0.03
    23   1    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.10  -0.30   0.03
    24   1     0.12  -0.10  -0.07    -0.21   0.17   0.12    -0.02   0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.6741              1448.6631              1497.6160
 Red. masses --      1.4179                 1.7537                 1.0888
 Frc consts  --      1.7290                 2.1685                 1.4387
 IR Inten    --     18.2855                28.3406                 3.2030
 RamAct Fr= 1--      2.3633                 6.0890                 6.8907
  Dep-P Fr= 1--      0.1308                 0.7121                 0.7496
  Dep-U Fr= 1--      0.2314                 0.8318                 0.8569
 Alpha2 Fr= 1--      0.0383                 0.0040                 0.0000
 Beta2  Fr= 1--      0.0911                 0.8442                 0.9841
 AlphaG Fr= 1--      0.0299                -0.0011                 0.0010
 Gamma2 Fr= 1--      0.6388                 0.9174                 0.3686
 Delta2 Fr= 1--      0.5706                -0.1982                 0.3962
 Raman1 Fr= 1--       9.453                 24.356                 27.563
 ROA1   Fr= 1--      79.582                 81.725                 48.064
 CID1   Fr= 1--       8.419                  3.355                  1.744
 Raman2 Fr= 1--       1.094                 10.130                 11.809
 ROA2   Fr= 1--      10.765                 23.602                  5.678
 CID2   Fr= 1--       9.842                  2.330                  0.481
 Raman3 Fr= 1--       2.188                 20.260                 23.619
 ROA3   Fr= 1--      79.582                 81.725                 48.064
 CID3   Fr= 1--      36.379                  4.034                  2.035
 RC180  Fr= 1--      -0.537                  0.664                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.02  -0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6     0.00   0.07  -0.00    -0.01  -0.10   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.09   0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6    -0.06   0.06  -0.01    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8     0.00  -0.00  -0.01     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.05  -0.02    -0.00   0.05  -0.01     0.00   0.00   0.00
     7   8    -0.01  -0.01  -0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1    -0.34   0.20   0.03     0.25  -0.33  -0.03    -0.00  -0.00   0.00
     9   8     0.01  -0.02   0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1    -0.07  -0.20  -0.02     0.09   0.32   0.03     0.00   0.00   0.00
    11   1     0.08   0.38  -0.01    -0.37   0.24  -0.00    -0.01   0.02  -0.00
    12   8    -0.02   0.01   0.02    -0.03   0.00   0.02    -0.00   0.00   0.00
    13   6     0.07  -0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1     0.19  -0.24  -0.00     0.31  -0.08  -0.01     0.08   0.02  -0.00
    15   8     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    16   1     0.09   0.42  -0.04    -0.05  -0.24   0.00    -0.01  -0.01   0.00
    17   1    -0.08   0.19   0.11     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1    -0.16   0.02  -0.08     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1     0.12   0.16  -0.09     0.19   0.25  -0.15     0.01   0.01  -0.01
    20   8    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.01
    21   1    -0.20   0.02  -0.00    -0.19  -0.00  -0.00     0.21   0.66  -0.01
    22   1    -0.27   0.15  -0.02    -0.19   0.11  -0.05    -0.00   0.19   0.68
    23   1    -0.06  -0.17   0.02     0.01   0.02  -0.01     0.00   0.01  -0.00
    24   1     0.12  -0.09  -0.07     0.07  -0.06  -0.05    -0.02   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2975.5636              2981.6211              2987.4003
 Red. masses --      1.0817                 1.0801                 1.0735
 Frc consts  --      5.6427                 5.6575                 5.6448
 IR Inten    --     12.6283                 4.3988                44.4019
 RamAct Fr= 1--    116.9591               205.8867               323.2234
  Dep-P Fr= 1--      0.1740                 0.1733                 0.1359
  Dep-U Fr= 1--      0.2964                 0.2954                 0.2392
 Alpha2 Fr= 1--      1.7004                 2.9985                 5.1782
 Beta2  Fr= 1--      5.7775                10.1362                12.8861
 AlphaG Fr= 1--      0.3070                 0.0585                 0.7748
 Gamma2 Fr= 1--      4.2746                 2.9331                -5.7839
 Delta2 Fr= 1--      1.8208                 3.9307               -11.2155
 Raman1 Fr= 1--     467.837                823.547               1292.894
 ROA1   Fr= 1--     468.624                407.360               -914.156
 CID1   Fr= 1--       1.002                  0.495                 -0.707
 Raman2 Fr= 1--      69.330                121.634                154.633
 ROA2   Fr= 1--      88.024                 38.948                -49.090
 CID2   Fr= 1--       1.270                  0.320                 -0.317
 Raman3 Fr= 1--     138.659                243.268                309.266
 ROA3   Fr= 1--     468.624                407.360               -914.156
 CID3   Fr= 1--       3.380                  1.675                 -2.956
 RC180  Fr= 1--      -0.407                 -0.409                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.05     0.00   0.00  -0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   1    -0.01   0.01  -0.27    -0.02   0.04  -0.58     0.00  -0.01   0.07
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.92    -0.00  -0.00   0.03    -0.01  -0.01   0.12
    11   1    -0.00  -0.01  -0.22     0.02   0.02   0.79     0.00   0.00   0.14
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01  -0.01  -0.06
    14   1    -0.00  -0.00   0.10     0.00   0.00  -0.10     0.01  -0.00  -0.48
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.12    -0.00   0.00   0.05    -0.00  -0.00  -0.01
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00   0.00  -0.02     0.00   0.01  -0.14    -0.01  -0.03   0.84
    22   1    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.05   0.12  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2993.6349              3006.6870              3017.1299
 Red. masses --      1.0826                 1.0832                 1.0855
 Frc consts  --      5.7165                 5.7696                 5.8219
 IR Inten    --     14.5968               155.6936               146.0396
 RamAct Fr= 1--      5.9193                 8.0500               123.2151
  Dep-P Fr= 1--      0.5706                 0.7369                 0.1859
  Dep-U Fr= 1--      0.7266                 0.8485                 0.3135
 Alpha2 Fr= 1--      0.0200                 0.0018                 1.7366
 Beta2  Fr= 1--      0.7169                 1.1384                 6.4382
 AlphaG Fr= 1--      0.0501                -0.0412                -1.3169
 Gamma2 Fr= 1--     -3.3574                 0.4659                -3.8567
 Delta2 Fr= 1--     -1.7254                 0.9766                 2.2915
 Raman1 Fr= 1--      23.677                 32.200                492.860
 ROA1   Fr= 1--    -377.523                 75.979               -296.918
 CID1   Fr= 1--     -15.945                  2.360                 -0.602
 Raman2 Fr= 1--       8.602                 13.661                 77.259
 ROA2   Fr= 1--     -66.774                  3.370               -110.894
 CID2   Fr= 1--      -7.762                  0.247                 -1.435
 Raman3 Fr= 1--      17.205                 27.322                154.518
 ROA3   Fr= 1--    -377.523                 75.979               -296.918
 CID3   Fr= 1--     -21.943                  2.781                 -1.922
 RC180  Fr= 1--       0.453                  0.697                 -0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.07     0.00   0.00  -0.01
     5   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.02     0.00  -0.00  -0.08
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.68     0.01  -0.02   0.26     0.01  -0.02   0.19
     9   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.30    -0.00  -0.01   0.06    -0.01  -0.01   0.19
    11   1     0.01   0.01   0.40     0.01   0.01   0.37     0.00   0.00   0.09
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    13   6     0.00   0.00   0.03    -0.00  -0.01  -0.03    -0.00  -0.00  -0.00
    14   1     0.00   0.00  -0.33    -0.02   0.00   0.78    -0.01  -0.00   0.12
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.19     0.01  -0.00  -0.21    -0.01   0.03   0.95
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    21   1     0.01   0.01  -0.35    -0.00  -0.01   0.34     0.00  -0.00   0.02
    22   1    -0.03  -0.07   0.03     0.04   0.09  -0.03     0.00   0.01  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.8924              3759.7967              3777.7606
 Red. masses --      1.0920                 1.0653                 1.0660
 Frc consts  --      6.2507                 8.8723                 8.9633
 IR Inten    --     23.4868                70.5193                92.7901
 RamAct Fr= 1--    115.4070               102.6351                93.3234
  Dep-P Fr= 1--      0.3041                 0.1410                 0.1633
  Dep-U Fr= 1--      0.4664                 0.2472                 0.2808
 Alpha2 Fr= 1--      1.1692                 1.6230                 1.3945
 Beta2  Fr= 1--      8.9705                 4.2288                 4.3671
 AlphaG Fr= 1--      0.5713                -0.2754                -0.4572
 Gamma2 Fr= 1--      3.6998                -3.0809                -3.7411
 Delta2 Fr= 1--      3.8816                -1.1293                 1.0301
 Raman1 Fr= 1--     461.628                410.540                373.294
 ROA1   Fr= 1--     479.395               -331.904               -326.182
 CID1   Fr= 1--       1.038                 -0.808                 -0.874
 Raman2 Fr= 1--     107.646                 50.745                 52.406
 ROA2   Fr= 1--      57.743                -64.906                -98.027
 CID2   Fr= 1--       0.536                 -1.279                 -1.871
 Raman3 Fr= 1--     215.291                101.490                104.811
 ROA3   Fr= 1--     479.395               -331.904               -326.182
 CID3   Fr= 1--       2.227                 -3.270                 -3.112
 RC180  Fr= 1--      -0.067                 -0.506                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.05  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00  -0.00  -0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.67   0.72   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1    -0.01  -0.00  -0.16     0.00   0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.14  -0.07   0.98     0.00  -0.00   0.01
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.04   0.07  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3779.3840              3782.6663              3791.5696
 Red. masses --      1.0657                 1.0660                 1.0661
 Frc consts  --      8.9684                 8.9865                 9.0297
 IR Inten    --     60.2841                78.1738                93.7788
 RamAct Fr= 1--     87.5024               110.8644               133.4519
  Dep-P Fr= 1--      0.0864                 0.1895                 0.1543
  Dep-U Fr= 1--      0.1591                 0.3187                 0.2674
 Alpha2 Fr= 1--      1.5835                 1.5477                 2.0404
 Beta2  Fr= 1--      2.3206                 5.8880                 5.9479
 AlphaG Fr= 1--      0.0429                -0.5068                 0.6174
 Gamma2 Fr= 1--      1.5831                 0.4719                 2.7784
 Delta2 Fr= 1--     -0.7289                 2.7826                -0.6096
 Raman1 Fr= 1--     350.010                443.458                533.807
 ROA1   Fr= 1--     128.648                134.350                247.219
 CID1   Fr= 1--       0.368                  0.303                  0.463
 Raman2 Fr= 1--      27.847                 70.656                 71.374
 ROA2   Fr= 1--      43.825                -10.934                 71.558
 CID2   Fr= 1--       1.574                 -0.155                  1.003
 Raman3 Fr= 1--      55.695                141.313                142.749
 ROA3   Fr= 1--     128.648                134.350                247.219
 CID3   Fr= 1--       2.310                  0.951                  1.732
 RC180  Fr= 1--      -0.682                 -0.363                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8    -0.00  -0.00   0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.05  -0.01  -0.01     0.95   0.15   0.27
    18   1     0.00   0.01  -0.00     0.29   0.94  -0.17     0.01   0.05  -0.01
    19   1     0.05  -0.06  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22   1     0.01   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00  -0.00   0.00     0.01  -0.00   0.04    -0.00   0.00  -0.01
    24   1     0.45   0.87  -0.18    -0.00  -0.01   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     513564.5 (Joules/Mol)
                                  122.74486 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     91.99   130.50   155.60   201.72   246.71
          (Kelvin)            270.40   324.35   376.69   404.42   435.64
                              441.05   455.32   477.59   511.87   524.31
                              568.07   607.54   639.11   702.18   822.29
                              864.74   908.72   919.08  1271.45  1429.32
                             1455.37  1466.96  1507.75  1532.06  1558.49
                             1564.66  1578.94  1589.07  1592.60  1640.42
                             1666.91  1733.46  1776.43  1779.84  1807.58
                             1842.31  1898.62  1901.96  1932.98  1959.91
                             1972.62  1994.68  2019.94  2042.44  2056.95
                             2064.59  2069.93  2084.30  2154.74  4281.17
                             4289.89  4298.20  4307.17  4325.95  4340.98
                             4484.51  5409.51  5435.35  5437.69  5442.41
                             5455.22
 
 Zero-point correction=                           0.195606 (Hartree/Particle)
 Thermal correction to Energy=                    0.208597
 Thermal correction to Enthalpy=                  0.209541
 Thermal correction to Gibbs Free Energy=         0.157107
 Sum of electronic and zero-point Energies=           -687.328316
 Sum of electronic and thermal Energies=              -687.315325
 Sum of electronic and thermal Enthalpies=            -687.314381
 Sum of electronic and thermal Free Energies=         -687.366815
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.897             48.483            110.356
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.119             42.522             37.951
 Vibration     1          0.597              1.972              4.332
 Vibration     2          0.602              1.956              3.645
 Vibration     3          0.606              1.943              3.302
 Vibration     4          0.615              1.913              2.801
 Vibration     5          0.626              1.878              2.419
 Vibration     6          0.633              1.856              2.248
 Vibration     7          0.650              1.802              1.915
 Vibration     8          0.669              1.743              1.650
 Vibration     9          0.681              1.709              1.527
 Vibration    10          0.694              1.668              1.401
 Vibration    11          0.697              1.661              1.381
 Vibration    12          0.703              1.642              1.328
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.731              1.563              1.141
 Vibration    15          0.738              1.546              1.103
 Vibration    16          0.762              1.481              0.982
 Vibration    17          0.785              1.422              0.884
 Vibration    18          0.804              1.374              0.814
 Vibration    19          0.844              1.277              0.689
 Vibration    20          0.928              1.093              0.501
 Vibration    21          0.959              1.030              0.448
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.544116D-72        -72.264308       -166.394719
 Total V=0       0.510864D+18         17.708306         40.774880
 Vib (Bot)       0.445786D-86        -86.350873       -198.830233
 Vib (Bot)    1  0.322824D+01          0.508966          1.171938
 Vib (Bot)    2  0.226653D+01          0.355362          0.818251
 Vib (Bot)    3  0.189461D+01          0.277520          0.639012
 Vib (Bot)    4  0.145022D+01          0.161435          0.371718
 Vib (Bot)    5  0.117470D+01          0.069927          0.161013
 Vib (Bot)    6  0.106573D+01          0.027646          0.063657
 Vib (Bot)    7  0.875405D+00         -0.057791         -0.133069
 Vib (Bot)    8  0.741207D+00         -0.130060         -0.299475
 Vib (Bot)    9  0.683597D+00         -0.165200         -0.380387
 Vib (Bot)   10  0.627108D+00         -0.202658         -0.466637
 Vib (Bot)   11  0.618083D+00         -0.208953         -0.481133
 Vib (Bot)   12  0.595262D+00         -0.225292         -0.518754
 Vib (Bot)   13  0.562215D+00         -0.250098         -0.575871
 Vib (Bot)   14  0.516640D+00         -0.286812         -0.660410
 Vib (Bot)   15  0.501494D+00         -0.299734         -0.690164
 Vib (Bot)   16  0.453131D+00         -0.343777         -0.791575
 Vib (Bot)   17  0.415109D+00         -0.381838         -0.879215
 Vib (Bot)   18  0.387868D+00         -0.411316         -0.947090
 Vib (Bot)   19  0.340321D+00         -0.468111         -1.077865
 Vib (Bot)   20  0.268886D+00         -0.570431         -1.313466
 Vib (Bot)   21  0.248179D+00         -0.605234         -1.393604
 Vib (V=0)       0.418544D+04          3.621741          8.339366
 Vib (V=0)    1  0.376673D+01          0.575965          1.326208
 Vib (V=0)    2  0.282103D+01          0.450407          1.037101
 Vib (V=0)    3  0.245948D+01          0.390842          0.899948
 Vib (V=0)    4  0.203400D+01          0.308351          0.710003
 Vib (V=0)    5  0.177668D+01          0.249610          0.574748
 Vib (V=0)    6  0.167719D+01          0.224582          0.517119
 Vib (V=0)    7  0.150813D+01          0.178440          0.410873
 Vib (V=0)    8  0.139408D+01          0.144289          0.332238
 Vib (V=0)    9  0.134694D+01          0.129348          0.297834
 Vib (V=0)   10  0.130204D+01          0.114623          0.263930
 Vib (V=0)   11  0.129500D+01          0.112270          0.258511
 Vib (V=0)   12  0.127739D+01          0.106324          0.244820
 Vib (V=0)   13  0.125239D+01          0.097738          0.225051
 Vib (V=0)   14  0.121897D+01          0.085993          0.198005
 Vib (V=0)   15  0.120816D+01          0.082126          0.189102
 Vib (V=0)   16  0.117478D+01          0.069956          0.161080
 Vib (V=0)   17  0.114986D+01          0.060644          0.139638
 Vib (V=0)   18  0.113280D+01          0.054155          0.124696
 Vib (V=0)   19  0.110483D+01          0.043295          0.099691
 Vib (V=0)   20  0.106771D+01          0.028455          0.065521
 Vib (V=0)   21  0.105821D+01          0.024570          0.056574
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    444444433333322222111100000009   8    666544433333332221111    
   98776                   1109887                                    943332087642285330540098864219   8    33078429653100862874096  
   23980                   7774726                                    899500461232006755907477358023   4    92128425462673125810814  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  X XXX  XX XX X XXXXX   X       X    XXXXXXXXXXX      
   XXXXX                    XX X                                          X     X XX      XX X XX  X   X       X    XXX XXX  XX      
   XXXXX                    XX                                                     X      XX X XX  X   X            XXX  XX  XX      
   XX X                     XX                                                            XX X XX  X   X            XXX  XX          
   X  X                     XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX  X                XXX  XX          
                            XX                                                             X X XX                   XXX  X           
                                                                                           X X XX                   XX   X           
                                                                                           X X XX                                    
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                           X X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
                                                                                             X X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000929475   -0.000738663   -0.001462630
      2        6           0.000518611    0.000536324    0.002221939
      3        6          -0.000534021   -0.002220732    0.001664285
      4        6          -0.000430002   -0.001069449   -0.000611621
      5        8           0.002212304    0.000803342   -0.000113582
      6        6          -0.002540424   -0.000219531   -0.001781797
      7        8          -0.000142396    0.000414140    0.000831118
      8        1          -0.000165074    0.000283204    0.000276913
      9        8           0.000057091   -0.000002828   -0.001109274
     10        1          -0.000287146   -0.000292491   -0.000826856
     11        1           0.000272724    0.000214218   -0.000488392
     12        8           0.000917813    0.001748339   -0.000871306
     13        6          -0.002521429    0.002611796    0.002287554
     14        1          -0.000417917   -0.000080915    0.000038056
     15        8           0.002271935   -0.000020643   -0.000749069
     16        1           0.000371730    0.000444814    0.000171162
     17        1          -0.000653933    0.000479125   -0.000421526
     18        1          -0.000628990   -0.000522437    0.000993555
     19        1          -0.000149654    0.000784315    0.000051630
     20        8           0.002105030   -0.001521341   -0.001181810
     21        1           0.000353317   -0.000242524   -0.000706710
     22        1           0.000201035    0.000008995    0.000044638
     23        1          -0.001512787   -0.000492257    0.001496070
     24        1          -0.000227293   -0.000904801    0.000247653
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002611796 RMS     0.001083416
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124305D+03  0.163928D+01  0.248632D+00
      2   0.163928D+01  0.119383D+03 -0.175408D+00
      3   0.248632D+00 -0.175408D+00  0.997468D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.101764D+01 -0.358462D+01 -0.379684D+01
      2  -0.316397D+01  0.133647D+01  0.726774D+01
      3   0.117708D+02 -0.127958D+02 -0.350361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.313374D+02 -0.174524D+02 -0.959894D+01
      2  -0.264575D+02  0.192589D+02  0.568755D+01
      3  -0.487989D+01 -0.180651D+01  0.391139D+01
      4   0.540850D+00 -0.731164D+01 -0.451162D-01
      5  -0.532358D+01  0.101251D+01  0.130799D+02
      6  -0.550851D+01  0.573731D+01  0.594841D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295527D+01 -0.294062D+01 -0.132347D+01 -0.327637D+01  0.346658D+01
      2  -0.294062D+01  0.416185D+01  0.276549D+00  0.346658D+01  0.225478D+00
      3  -0.132347D+01  0.276549D+00 -0.136066D+01  0.420456D+00 -0.119658D+01
                 6             7             8             9            10 
      1   0.420456D+00 -0.175606D+01  0.845666D+00  0.102416D+00  0.452377D+01
      2  -0.119658D+01  0.845666D+00 -0.209758D+01 -0.854242D+00  0.244923D+01
      3   0.979912D+00  0.102416D+00 -0.854242D+00  0.122826D+02  0.165314D+01
                11            12            13            14            15 
      1   0.244923D+01  0.165314D+01  0.245722D+01 -0.304176D+01 -0.228849D+00
      2  -0.227957D+01 -0.168183D-01 -0.304176D+01 -0.168219D+01  0.789830D+00
      3  -0.168183D-01 -0.248529D+01 -0.228849D+00  0.789830D+00  0.642459D+00
                16            17            18            19            20 
      1   0.318031D+01 -0.229336D+00  0.158626D+00  0.261451D+01  0.264221D+01
      2  -0.229336D+00  0.972922D+00  0.612884D+00  0.264221D+01 -0.341383D+01
      3   0.158626D+00  0.612884D+00 -0.123400D+02  0.110742D+01  0.183932D+00
                21            22            23            24            25 
      1   0.110742D+01  0.208674D+01 -0.447662D+01 -0.676143D-01  0.154761D+01
      2   0.183932D+00 -0.447662D+01 -0.254175D+01  0.144883D+01  0.564640D+00
      3   0.626382D+00 -0.676143D-01  0.144883D+01  0.198450D+01 -0.260907D+00
                26            27            28            29            30 
      1   0.564640D+00 -0.260907D+00 -0.233798D+01 -0.226444D+00 -0.120397D+01
      2   0.276089D+01  0.339688D+00 -0.226444D+00  0.394423D+01 -0.373391D+00
      3   0.339688D+00 -0.120104D+02 -0.120397D+01 -0.373391D+00 -0.614815D+00
                31            32            33            34            35 
      1   0.705224D+00  0.524650D+01  0.773954D+00 -0.186451D+01  0.186216D+00
      2   0.524650D+01  0.302337D+01 -0.127739D+01  0.186216D+00 -0.202398D+01
      3   0.773954D+00 -0.127739D+01 -0.122379D+01 -0.615031D+00  0.150135D+00
                36            37            38            39            40 
      1  -0.615031D+00  0.725199D+01 -0.275419D+00  0.815488D+00 -0.174320D+01
      2   0.150135D+00 -0.275419D+00 -0.455016D+00 -0.776629D+00 -0.961751D+00
      3   0.123349D+02  0.815488D+00 -0.776629D+00 -0.450544D+00 -0.455441D+00
                41            42            43            44            45 
      1  -0.961751D+00 -0.455441D+00  0.352509D+01  0.707940D+00  0.545123D+00
      2  -0.542882D+01  0.869544D+00  0.707940D+00  0.226843D+01 -0.760046D+00
      3   0.869544D+00  0.101686D+01  0.545123D+00 -0.760046D+00 -0.223613D+01
                46            47            48            49            50 
      1  -0.439088D+01 -0.359284D+01 -0.745317D+00 -0.191902D+01  0.260599D+01
      2  -0.359284D+01  0.148623D+01  0.114885D+01  0.260599D+01  0.180684D+01
      3  -0.745317D+00  0.114885D+01  0.673325D+00  0.426312D-01 -0.334180D+00
                51            52            53            54            55 
      1   0.426312D-01 -0.273938D+01  0.212761D+00  0.311492D+00  0.399220D+01
      2  -0.334180D+00  0.212761D+00 -0.192075D+01  0.659991D+00  0.254279D+01
      3  -0.323251D+01  0.311492D+00  0.659991D+00  0.119037D+02  0.179221D+01
                56            57            58            59            60 
      1   0.254279D+01  0.179221D+01  0.384385D+01 -0.352765D+01 -0.183934D+00
      2  -0.173074D+01 -0.417145D-01 -0.352765D+01  0.799339D+01  0.131661D+01
      3  -0.417145D-01  0.159414D+01 -0.183934D+00  0.131661D+01 -0.345090D+00
                61            62            63            64            65 
      1   0.353527D+01 -0.129931D+01 -0.885783D+00  0.559867D+00  0.399049D+00
      2  -0.129931D+01  0.271604D+01  0.172464D+01  0.399049D+00 -0.718052D+00
      3  -0.885783D+00  0.172464D+01 -0.112274D+00 -0.105113D+01  0.501126D-01
                66            67            68            69            70 
      1  -0.105113D+01  0.560650D+00 -0.602016D+00  0.804043D-01 -0.221979D+01
      2   0.501126D-01 -0.602016D+00  0.239449D-01 -0.115360D+01  0.166620D+00
      3   0.655846D-01  0.804043D-01 -0.115360D+01  0.406023D+00 -0.504659D+00
                71            72            73            74            75 
      1   0.166620D+00 -0.504659D+00 -0.959042D+01 -0.180837D+00 -0.127080D+01
      2  -0.208013D+01  0.862142D+00 -0.180837D+00  0.100031D+01 -0.239844D+00
      3   0.862142D+00 -0.991244D+01 -0.127080D+01 -0.239844D+00  0.137317D+01
                76            77            78            79            80 
      1   0.345390D+01  0.106704D+01  0.132086D+00 -0.351458D+01 -0.745642D+00
      2   0.106704D+01  0.533985D+01 -0.121943D+01 -0.745642D+00 -0.167338D+01
      3   0.132086D+00 -0.121943D+01  0.136931D+01 -0.176534D+01 -0.242637D+00
                81            82            83            84            85 
      1  -0.176534D+01 -0.772672D+00 -0.386809D+00  0.112771D+01 -0.464387D+00
      2  -0.242637D+00 -0.386809D+00  0.523668D+00  0.329681D-01  0.479436D+00
      3   0.917833D-01  0.112771D+01  0.329681D-01  0.261802D-01  0.362140D-01
                86            87            88            89            90 
      1   0.479436D+00  0.362140D-01  0.210508D+01  0.224092D+00 -0.640010D+00
      2   0.161720D+00  0.119782D+01  0.224092D+00  0.203346D+01 -0.578380D+00
      3   0.119782D+01 -0.593755D+00 -0.640010D+00 -0.578380D+00  0.100325D+02
                91            92            93            94            95 
      1  -0.195366D+00 -0.537555D+00  0.109967D+01 -0.362706D+00  0.694342D+00
      2  -0.537555D+00  0.634290D+00  0.461477D-01  0.694342D+00  0.495462D+00
      3   0.109967D+01  0.461477D-01  0.874035D-01  0.944990D-01  0.114326D+01
                96            97            98            99           100 
      1   0.944990D-01  0.213710D+01 -0.955096D-01  0.364378D+00  0.477600D+01
      2   0.114326D+01 -0.955096D-01  0.215698D+01  0.512210D+00  0.728342D+00
      3  -0.104198D-01  0.364378D+00  0.512210D+00  0.100808D+02 -0.114667D+01
               101           102           103           104           105 
      1   0.728342D+00 -0.114667D+01 -0.464809D+00  0.501967D+01  0.172770D+00
      2   0.677286D+01  0.126129D-02  0.501967D+01  0.324816D+01 -0.109096D+01
      3   0.126129D-02  0.458542D+00  0.172770D+00 -0.109096D+01 -0.169707D+01
               106           107           108           109           110 
      1  -0.147995D+01 -0.368472D+00  0.947515D+00  0.306251D+01  0.299854D+00
      2  -0.368472D+00 -0.313539D+01  0.139380D+01  0.299854D+00 -0.301418D+01
      3   0.947515D+00  0.139380D+01  0.213423D+00  0.212922D+01  0.548436D+00
               111           112           113           114           115 
      1   0.212922D+01  0.681993D+00 -0.557024D+01  0.788460D-01  0.300970D+01
      2   0.548436D+00 -0.557024D+01 -0.383836D+01  0.167921D+01 -0.178638D+00
      3   0.188956D+01  0.788460D-01  0.167921D+01 -0.894290D+00 -0.110712D+01
               116           117           118           119           120 
      1  -0.178638D+00 -0.110712D+01  0.123995D+01  0.286221D+00 -0.119810D+01
      2   0.203122D+01 -0.187193D+01  0.286221D+00 -0.410076D+00  0.856071D-01
      3  -0.187193D+01 -0.105280D+02 -0.119810D+01  0.856071D-01  0.909917D+00
               121           122           123           124           125 
      1   0.222909D+00 -0.507040D+00 -0.357929D+00 -0.255207D+01 -0.270234D+00
      2  -0.507040D+00 -0.193306D-01 -0.118169D+01 -0.270234D+00 -0.196057D+01
      3  -0.357929D+00 -0.118169D+01  0.231347D+00  0.138921D+01  0.321789D+00
               126           127           128           129           130 
      1   0.138921D+01 -0.141574D+01 -0.184582D+01  0.352644D+00 -0.190985D+01
      2   0.321789D+00 -0.184582D+01 -0.160002D+01  0.286545D+00 -0.182658D+01
      3  -0.997099D+01  0.352644D+00  0.286545D+00 -0.405889D+00 -0.108555D+00
               131           132           133           134           135 
      1  -0.182658D+01 -0.108555D+00 -0.287774D+00 -0.788148D-01 -0.376349D+00
      2  -0.101659D+02 -0.285635D+00 -0.788148D-01 -0.213505D+01  0.780249D+00
      3  -0.285635D+00  0.182028D+01 -0.376349D+00  0.780249D+00 -0.702051D+01
               136           137           138           139           140 
      1   0.190256D+00  0.130643D+00 -0.132710D+01  0.129984D+00 -0.545900D+00
      2   0.130643D+00 -0.331554D+00 -0.259596D+00 -0.545900D+00 -0.116750D+01
      3  -0.132710D+01 -0.259596D+00 -0.168863D+00 -0.175711D-01 -0.115811D+01
               141           142           143           144           145 
      1  -0.175711D-01 -0.217369D+01 -0.588253D+00 -0.618351D+00 -0.101833D+02
      2  -0.115811D+01 -0.588253D+00 -0.214698D+01 -0.191170D+01  0.189036D+01
      3  -0.339682D+00 -0.618351D+00 -0.191170D+01 -0.101022D+02 -0.659169D+00
               146           147           148           149           150 
      1   0.189036D+01 -0.659169D+00 -0.766482D-01 -0.640304D+00 -0.762546D-01
      2  -0.245989D+01 -0.118036D+00 -0.640304D+00  0.157465D+00 -0.227303D+00
      3  -0.118036D+00 -0.178598D+01 -0.762546D-01 -0.227303D+00  0.233364D+00
               151           152           153           154           155 
      1  -0.197442D+01  0.269605D+00 -0.873773D+00 -0.293115D+01 -0.220402D+01
      2   0.269605D+00 -0.614025D+00  0.303061D+00 -0.220402D+01 -0.271071D+01
      3  -0.873773D+00  0.303061D+00 -0.137940D+00  0.115317D+00 -0.557666D-03
               156           157           158           159           160 
      1   0.115317D+00 -0.509163D+01 -0.353598D+01 -0.158433D+00  0.749911D+00
      2  -0.557666D-03 -0.353598D+01 -0.681548D+01  0.329993D+00  0.403809D+00
      3  -0.934301D+00 -0.158433D+00  0.329993D+00 -0.142843D+01 -0.608906D+00
               161           162           163           164           165 
      1   0.403809D+00 -0.608906D+00 -0.248892D+01  0.158125D+01  0.317020D+00
      2   0.866943D+00 -0.496263D+00  0.158125D+01 -0.460491D+01 -0.340362D-01
      3  -0.496263D+00 -0.676702D-02  0.317020D+00 -0.340362D-01 -0.676859D+00
               166           167           168           169           170 
      1   0.229343D+01 -0.172285D+01 -0.164323D+00  0.489198D+00 -0.257576D+00
      2  -0.172285D+01  0.787253D+01  0.169516D+00 -0.257576D+00  0.935957D+00
      3  -0.164323D+00  0.169516D+00  0.154971D+01 -0.127879D+00  0.722933D+00
               171           172           173           174           175 
      1  -0.127879D+00  0.878894D+01 -0.271412D+01 -0.153347D+01 -0.106256D+01
      2   0.722933D+00 -0.271412D+01  0.398369D+01 -0.159627D+00  0.433631D+01
      3  -0.938128D-01 -0.153347D+01 -0.159627D+00  0.912315D-01 -0.211516D-01
               176           177           178           179           180 
      1   0.433631D+01 -0.211516D-01 -0.279910D+01  0.766783D+00  0.200247D+01
      2   0.229155D+01 -0.823692D+00  0.766783D+00 -0.174641D+01 -0.710325D+00
      3  -0.823692D+00  0.145716D+01  0.200247D+01 -0.710325D+00 -0.422427D+00
               181           182           183           184           185 
      1  -0.498282D+00  0.341026D+00  0.115608D+01 -0.349786D+00  0.841160D+00
      2   0.341026D+00  0.323888D+00 -0.150160D+00  0.841160D+00  0.549329D+00
      3   0.115608D+01 -0.150160D+00 -0.467196D+00 -0.163870D-01  0.105426D+01
               186           187           188           189           190 
      1  -0.163870D-01  0.263181D+01 -0.220064D+00  0.156338D+01  0.300471D+01
      2   0.105426D+01 -0.220064D+00  0.181979D+01  0.142087D+01  0.248865D+01
      3  -0.163183D+00  0.156338D+01  0.142087D+01  0.105640D+02 -0.854218D+00
               191           192           193           194           195 
      1   0.248865D+01 -0.854218D+00  0.382772D+01  0.331842D+01 -0.279314D+00
      2   0.266688D+01 -0.279291D+00  0.331842D+01  0.688369D+01 -0.105973D+01
      3  -0.279291D+00  0.694373D+00 -0.279314D+00 -0.105973D+01  0.109897D+01
               196           197           198           199           200 
      1  -0.191493D+01 -0.527600D+00  0.986226D+00 -0.385520D-01 -0.333733D+00
      2  -0.527600D+00 -0.195912D+01  0.118641D+01 -0.333733D+00  0.259492D+00
      3   0.986226D+00  0.118641D+01 -0.842061D-01  0.413411D+00 -0.291789D+00
               201           202           203           204           205 
      1   0.413411D+00 -0.498522D+00 -0.366218D-01  0.640519D-01  0.176911D+01
      2  -0.291789D+00 -0.366218D-01 -0.141998D+01  0.791561D+00  0.360730D+00
      3   0.872492D+00  0.640519D-01  0.791561D+00 -0.110165D+01 -0.984301D-01
               206           207           208           209           210 
      1   0.360730D+00 -0.984301D-01 -0.220619D+01 -0.541391D+00  0.234083D+00
      2   0.397093D+01 -0.303166D+01 -0.541391D+00 -0.202885D+01  0.810861D-01
      3  -0.303166D+01  0.741620D+01  0.234083D+00  0.810861D-01 -0.119025D-01
               211           212           213           214           215 
      1  -0.304413D+01 -0.801205D-01  0.239844D+00  0.596061D+00  0.150588D+00
      2  -0.801205D-01 -0.699344D+01  0.217870D+00  0.150588D+00  0.959810D+00
      3   0.239844D+00  0.217870D+00 -0.176002D+01  0.111707D+00 -0.533620D+00
               216 
      1   0.111707D+00
      2  -0.533620D+00
      3   0.582181D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139512D+01  0.271517D+00 -0.115606D+01 -0.194718D+01  0.681760D+00
      2   0.174488D+01 -0.420762D+00  0.306433D+00 -0.281401D+00  0.260589D+01
      3  -0.385872D+01 -0.150717D+01 -0.132225D+01  0.352738D+01  0.213278D+01
                 6             7             8             9            10 
      1   0.114958D+00 -0.101749D+00  0.408881D+01 -0.970189D+01  0.885466D+00
      2   0.673240D+00 -0.280262D+01  0.488201D+00 -0.112144D+02 -0.218355D+01
      3  -0.283131D+00  0.252766D+00 -0.204240D+01 -0.800477D+00  0.859197D+00
                11            12            13            14            15 
      1  -0.125322D+01 -0.138647D+00  0.506047D+00 -0.153848D+01 -0.124571D+01
      2  -0.152792D+01  0.144237D+01 -0.115465D+00 -0.275665D+01 -0.253199D+01
      3  -0.667202D+01 -0.876070D+00 -0.563712D+00 -0.387551D+00  0.232901D+01
                16            17            18            19            20 
      1  -0.957050D+00  0.257505D+01 -0.575458D+01 -0.100705D+01 -0.366313D+00
      2  -0.349095D+01 -0.143537D+01  0.147309D+02 -0.128553D+01  0.394402D+00
      3  -0.203385D+01  0.183067D+01  0.962383D+00  0.176681D+01  0.844819D+00
                21            22            23            24            25 
      1   0.101964D+01 -0.327936D+00 -0.224150D+01  0.778524D-01  0.140080D+01
      2   0.136393D+01 -0.116401D+01  0.413408D+00 -0.437235D+00 -0.324534D+01
      3   0.147844D+01  0.647694D+01 -0.513525D+01 -0.156519D+01  0.159844D+01
                26            27            28            29            30 
      1   0.263946D+01  0.116517D+02  0.931823D+00 -0.331153D+00  0.194504D+01
      2  -0.143020D+00 -0.271915D+01 -0.238477D+01 -0.609940D+00 -0.795159D+00
      3   0.566827D+00 -0.729914D+00 -0.617054D+01 -0.101285D+02 -0.458365D+00
                31            32            33            34            35 
      1  -0.121235D+01  0.158059D+01  0.279058D+01  0.204218D+01  0.312730D+01
      2  -0.102829D+01 -0.177560D+01 -0.301916D+01 -0.485692D+01  0.213769D+01
      3  -0.821527D+01 -0.289436D+01  0.249175D+01 -0.124769D+00  0.124059D+01
                36            37            38            39            40 
      1  -0.473547D+01  0.119121D+01  0.378809D+00 -0.384531D+01  0.930304D+00
      2   0.190898D+02  0.901836D+00  0.437508D+00  0.111653D+02  0.215270D+00
      3  -0.607617D+00 -0.978557D+01 -0.837826D+01 -0.984931D+00  0.135014D+02
                41            42            43            44            45 
      1   0.600907D+00 -0.771045D+01  0.280708D+01  0.546746D+01 -0.133350D+00
      2   0.136172D+01  0.315996D+01 -0.654875D+01 -0.278879D+01  0.799658D+00
      3   0.607274D+01 -0.100354D+01 -0.412562D+01 -0.257081D+01 -0.371670D+00
                46            47            48            49            50 
      1  -0.905144D+00  0.143654D+00  0.264798D+01 -0.580028D+00 -0.130638D+01
      2   0.144970D+01  0.212496D+00 -0.717794D+01 -0.463876D+00  0.153232D+01
      3   0.355605D+01  0.710283D+01  0.143168D+01  0.380699D+01  0.188334D+01
                51            52            53            54            55 
      1  -0.790570D+00 -0.125851D+01  0.306867D+01  0.155081D+02 -0.343201D+01
      2   0.457861D+00 -0.401867D+01 -0.238600D+01 -0.117779D+02 -0.719948D+01
      3  -0.152432D+01  0.364288D+01 -0.182368D+01  0.189456D-01  0.166037D+02
                56            57            58            59            60 
      1  -0.780082D-01  0.301991D+00  0.151468D+01 -0.229953D+01 -0.649968D+01
      2   0.195803D+01  0.172186D+01  0.211666D+00 -0.213909D+01 -0.282159D+01
      3  -0.226031D+01  0.281967D+01  0.919551D+01  0.984101D+01  0.114776D+01
                61            62            63            64            65 
      1   0.657873D+00  0.150277D+01 -0.219845D+01  0.769739D+00 -0.489270D-01
      2  -0.455433D+01 -0.182283D+01 -0.221714D+01  0.161663D+01 -0.237477D+00
      3   0.605076D+01  0.415429D+01  0.148759D+01  0.899550D+00 -0.152715D+01
                66            67            68            69            70 
      1  -0.607335D+00 -0.515946D-01  0.150102D+01 -0.109618D+01 -0.398167D-01
      2   0.108080D+01 -0.298988D-01  0.817055D+00  0.247063D+00 -0.450527D+01
      3  -0.824357D+00  0.112018D+01 -0.530534D+00 -0.113068D+01 -0.235327D+01
                71            72            73            74            75 
      1   0.427361D+01  0.920847D+01 -0.165672D+01 -0.594553D+00 -0.233057D+00
      2  -0.443308D+00  0.106022D+02  0.384632D+01  0.207842D+01  0.667656D+01
      3  -0.208719D+01  0.646337D+00  0.832266D+01 -0.412058D+01  0.203047D+00
                76            77            78            79            80 
      1  -0.271800D+01 -0.314646D+01 -0.125436D+01  0.431883D+00  0.471484D+01
      2   0.992684D+00  0.399622D+01 -0.267269D+01 -0.542827D+00 -0.163745D+00
      3   0.551249D+01  0.207090D+02 -0.245743D+01  0.153990D+01 -0.587466D+01
                81            82            83            84            85 
      1  -0.578545D+00  0.363588D+00  0.481975D+00  0.493682D+00  0.593571D+00
      2   0.259814D+01 -0.192948D+01  0.631128D-02  0.582348D+00  0.332922D+00
      3   0.614039D+00 -0.665163D-01 -0.188277D+00 -0.313644D+00  0.193972D+01
                86            87            88            89            90 
      1   0.683523D+00 -0.198965D+01  0.969643D-01  0.464483D+01  0.386179D+01
      2  -0.180730D+01  0.412494D+00 -0.407811D+01  0.649149D+00 -0.145684D+02
      3   0.328806D+00  0.137309D+01 -0.632332D+00  0.313251D+01  0.881984D-02
                91            92            93            94            95 
      1  -0.172429D+01  0.112790D+00  0.240557D+00 -0.145068D+00 -0.141549D+01
      2   0.446960D+00  0.686823D+00  0.913932D+00  0.638756D+00  0.258315D+00
      3   0.302410D-01 -0.184446D+01  0.129189D+01  0.611221D+00  0.531136D+00
                96            97            98            99           100 
      1  -0.725040D+00 -0.465654D+00  0.425707D+01 -0.116863D+02  0.271559D+01
      2  -0.364185D+00 -0.537463D+01  0.167950D+00  0.234880D+01  0.982613D-01
      3  -0.166801D+00  0.277272D+01 -0.103210D+01  0.152535D+00  0.153198D+02
               101           102           103           104           105 
      1  -0.113368D+01 -0.422056D+01 -0.771419D+00  0.508658D+01 -0.452915D+01
      2  -0.164098D+01  0.402620D+01  0.604156D+00  0.543574D+00  0.180852D+01
      3  -0.118020D+02 -0.205005D+01 -0.550012D+00  0.990857D+01  0.141998D+01
               106           107           108           109           110 
      1  -0.243087D+01  0.232512D+01  0.232868D+01 -0.208205D+01 -0.150192D+01
      2  -0.306199D+01  0.118800D+01 -0.550168D+00  0.455040D+01  0.163811D+01
      3  -0.501734D+01  0.156741D+01  0.104340D+01  0.384839D+01  0.758923D+01
               111           112           113           114           115 
      1  -0.298497D+01 -0.302538D+01 -0.397466D+01  0.123294D+01  0.307355D+00
      2   0.259177D+01  0.226301D+01  0.616749D+01  0.351099D+00 -0.727479D+01
      3  -0.854730D+00  0.177193D+02  0.669865D+01 -0.456311D+01  0.736214D+00
               116           117           118           119           120 
      1   0.218747D+01  0.598300D+01  0.356593D+00  0.468697D+00  0.410316D+00
      2  -0.483533D+01 -0.256346D+02 -0.133383D+01  0.297132D+00  0.249739D+01
      3  -0.587745D+01  0.473524D+01 -0.104110D+00  0.212138D+00 -0.549677D+00
               121           122           123           124           125 
      1   0.204034D+00  0.116268D+00 -0.943930D+00 -0.176506D+00  0.461107D+01
      2  -0.517994D+00 -0.186784D+01  0.426782D+00 -0.395803D+01  0.119862D+00
      3   0.287450D+01 -0.793456D+00  0.176164D+01 -0.306736D+00  0.346933D+01
               126           127           128           129           130 
      1   0.299185D+01  0.415746D+00  0.133369D+00 -0.240429D+01  0.157838D+00
      2  -0.138274D+02 -0.113343D-01 -0.196479D+01  0.582123D+01  0.490429D+00
      3  -0.125243D+01  0.299554D+01 -0.287437D+01  0.727627D+00  0.109557D+02
               131           132           133           134           135 
      1   0.463704D+00 -0.511413D+01  0.996957D-02  0.651732D+01 -0.194914D+02
      2   0.323599D-01 -0.184369D+00 -0.210704D+00 -0.724564D+00  0.592115D+01
      3  -0.525130D+01 -0.584318D-02  0.644268D+00 -0.544363D+00  0.210294D+01
               136           137           138           139           140 
      1  -0.222163D+01 -0.269956D+00 -0.536426D+00  0.328025D+00 -0.123914D+01
      2   0.978447D+00  0.183325D+00  0.117674D+01  0.693355D+00  0.812294D+00
      3   0.348143D-01 -0.201827D+01  0.221921D+01  0.296230D+00  0.377088D+00
               141           142           143           144           145 
      1  -0.104236D+01 -0.323851D+00  0.291484D+01 -0.140850D+02  0.198636D+01
      2  -0.244475D-01 -0.464827D+01  0.116413D+01  0.856371D+01  0.566315D+01
      3  -0.589420D+00  0.373172D+01 -0.526896D+00  0.653629D+00 -0.205341D+02
               146           147           148           149           150 
      1   0.469272D-02  0.318572D+01  0.225673D+00  0.571409D+00 -0.725419D-01
      2  -0.514219D+00  0.547822D+01  0.328614D+00  0.485263D+00 -0.194000D+00
      3  -0.402000D+01 -0.211157D+01 -0.216502D+01 -0.270704D+01 -0.844427D+00
               151           152           153           154           155 
      1   0.173121D+01  0.203609D+00  0.327757D+00  0.987799D+00  0.112042D+01
      2   0.215808D+01 -0.716715D+00  0.828457D+00 -0.899051D+00 -0.708627D+00
      3  -0.454933D+01 -0.148456D+01 -0.126553D+01 -0.482600D+01 -0.650481D+01
               156           157           158           159           160 
      1  -0.128761D+01  0.176196D+01  0.306899D+01 -0.262653D+01 -0.871032D+00
      2   0.249856D+01 -0.107377D+01 -0.257057D+01  0.461252D+01  0.834960D+00
      3  -0.181899D+00 -0.465636D+01 -0.220995D+02  0.139223D+01  0.817424D-01
               161           162           163           164           165 
      1  -0.452263D-01  0.329948D+00 -0.169815D+01  0.162003D+01  0.282351D+01
      2   0.169294D+01 -0.300340D-01 -0.322419D+00  0.723724D+00 -0.192225D+00
      3   0.315769D+01 -0.972224D+00 -0.123533D+02  0.863810D+01  0.135872D+01
               166           167           168           169           170 
      1   0.134668D+01 -0.239786D+01 -0.475760D+01  0.645679D+00 -0.136287D+01
      2   0.467605D+00 -0.101748D+01 -0.161357D+00 -0.889318D+00  0.117626D+00
      3   0.101873D+02 -0.122658D+02 -0.710427D+00  0.244025D+01 -0.152992D+01
               171           172           173           174           175 
      1  -0.137356D+00 -0.502505D+00 -0.696761D+00  0.412977D+01  0.371514D+00
      2  -0.242625D+00 -0.502862D+01  0.107471D+01  0.779923D+01 -0.146855D+01
      3  -0.909125D+00  0.167391D+01 -0.213066D+02  0.836602D-01 -0.121616D+02
               176           177           178           179           180 
      1  -0.267182D+01 -0.410112D+01 -0.252700D+00  0.485546D+01 -0.211711D+01
      2  -0.284352D+01  0.211625D+00  0.221094D+01 -0.217889D+01 -0.295236D+01
      3  -0.106734D+02  0.304420D+01  0.475244D+00  0.675741D+01  0.200758D+01
               181           182           183           184           185 
      1  -0.313991D+00  0.871767D-01  0.469711D-01  0.501198D+00 -0.233940D+00
      2   0.417992D+01 -0.827936D+00 -0.463032D+00 -0.177649D+00  0.263527D+01
      3  -0.143479D+01 -0.144126D+01  0.849602D+00 -0.110665D+01 -0.102841D+01
               186           187           188           189           190 
      1  -0.284091D+00 -0.116791D+01  0.408198D+01 -0.468881D+01  0.168408D+01
      2  -0.464164D+00 -0.162661D+01  0.431905D+01  0.276602D+02 -0.279934D+01
      3  -0.258825D+01  0.189763D+01 -0.499959D+01 -0.355437D+01 -0.467445D+01
               191           192           193           194           195 
      1   0.959641D+00 -0.151716D+01  0.136571D+01  0.274103D+01 -0.321117D+01
      2  -0.133276D+01  0.335428D+01 -0.136392D+01 -0.411766D+01  0.398406D+01
      3  -0.742238D+01  0.338983D+00 -0.418926D+01 -0.194594D+02  0.305834D+01
               196           197           198           199           200 
      1  -0.956431D+00 -0.170925D+00  0.531294D+00  0.134812D+01 -0.418182D+00
      2   0.194627D+01  0.348878D+01 -0.761777D+00 -0.107013D+01 -0.110749D+00
      3  -0.205529D+00  0.573442D+01 -0.281703D+01 -0.650301D+00  0.560700D+00
               201           202           203           204           205 
      1   0.253493D+01  0.134667D+00  0.274142D+01 -0.285719D+01 -0.363684D+00
      2  -0.964397D+00 -0.585395D+00 -0.114149D+01  0.111346D+01 -0.271734D+01
      3  -0.149361D+01  0.113824D+01 -0.122754D+01  0.658175D+00 -0.464240D+01
               206           207           208           209           210 
      1  -0.634982D+01  0.222753D+02  0.512299D+00  0.909901D+00 -0.848680D+00
      2   0.286440D+01 -0.667387D+01  0.109693D+01  0.117449D+00 -0.103097D+01
      3   0.246422D+01 -0.278892D+01  0.772944D+01  0.937565D+01 -0.694850D+00
               211           212           213           214           215 
      1   0.711162D+00  0.271576D+01 -0.323830D+01  0.530671D-01 -0.434948D+00
      2   0.103175D+01  0.376016D+00 -0.458349D+01 -0.895839D+00 -0.157821D+01
      3   0.689587D+01  0.267895D+02 -0.112101D+01 -0.187337D+01 -0.368178D+01
               216 
      1   0.223754D+00
      2  -0.957350D-01
      3   0.163588D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.686260D+01 -0.207280D+01  0.106342D+00  0.670899D+01 -0.423301D+00
      2  -0.691759D+01  0.126175D+02 -0.207164D+01  0.227669D+01 -0.782057D+01
      3   0.549870D-01 -0.105447D+02  0.196530D+01 -0.898568D+01  0.824387D+01
      4   0.898033D+01 -0.164613D+02 -0.174755D+01 -0.194354D+02  0.120449D+02
      5   0.474257D+01 -0.204892D+01 -0.371958D+01 -0.461100D+01  0.162385D+01
      6  -0.133603D+01  0.383044D+01  0.374440D+01  0.362862D+01 -0.428972D+01
                 6             7             8             9            10 
      1   0.111070D+01  0.427861D+01  0.456902D+00  0.109406D+02 -0.262211D+02
      2   0.457179D+00  0.118697D+01 -0.725643D+01  0.865309D+01  0.132570D+02
      3  -0.156788D+01 -0.546558D+01  0.679953D+01 -0.195937D+02  0.129642D+02
      4   0.259789D+01 -0.473518D+01  0.829916D+01  0.200522D+01 -0.853908D+01
      5   0.317360D+01  0.430032D-01  0.273533D+01 -0.269918D+02 -0.835823D+01
      6  -0.677411D+01  0.163691D+01 -0.144342D+01  0.245771D+02 -0.128958D+01
                11            12            13            14            15 
      1  -0.850283D+01 -0.147813D+01 -0.127049D+02  0.819142D+01  0.156901D+01
      2   0.388844D+01  0.528881D+01  0.780098D+01 -0.250109D+01 -0.308496D+00
      3   0.461439D+01 -0.381068D+01  0.490391D+01 -0.569034D+01 -0.126051D+01
      4  -0.381044D+01 -0.592714D+00  0.683866D+01  0.182759D+01 -0.130251D+01
      5  -0.155270D+01 -0.314970D+01 -0.491917D+00 -0.324633D+00 -0.580710D+01
      6  -0.277318D+01 -0.546190D-01 -0.104348D+01 -0.113120D+01 -0.115100D+01
                16            17            18            19            20 
      1  -0.146911D+02 -0.195351D+01  0.114467D+02 -0.106260D+02  0.917951D+01
      2   0.734537D+01 -0.103072D+01  0.871889D+01  0.799267D+01 -0.152487D+02
      3   0.734577D+01  0.298423D+01 -0.201656D+02  0.263334D+01  0.606924D+01
      4  -0.142058D+01 -0.170248D+01 -0.180999D+01  0.161924D+01 -0.389580D+01
      5  -0.732976D+00 -0.263707D+01  0.370714D+02  0.195383D+01  0.154706D+01
      6   0.515999D-01 -0.474403D+00  0.138277D+02  0.975498D+00  0.175975D+01
                21            22            23            24            25 
      1  -0.104038D+01  0.617898D+01  0.596351D+01 -0.459393D+01 -0.140760D+01
      2  -0.157447D+01 -0.125465D+02 -0.144632D+02  0.457905D+00  0.457372D+01
      3   0.261485D+01  0.636752D+01  0.849964D+01  0.413602D+01 -0.316613D+01
      4   0.126197D+01 -0.833194D+01 -0.134520D+02 -0.538754D+00  0.396711D+01
      5  -0.273644D+01  0.235613D+01  0.145245D+01 -0.135919D+01  0.691877D+00
      6  -0.256286D+01 -0.495238D+00  0.591551D+01 -0.573448D+01 -0.132834D+01
                26            27            28            29            30 
      1  -0.370483D+01  0.987366D+01 -0.120515D+02 -0.129726D+01 -0.526177D+01
      2   0.989870D+01  0.119399D+02  0.471350D+01  0.133146D+00  0.225048D+01
      3  -0.619387D+01 -0.218135D+02  0.733803D+01  0.116411D+01  0.301129D+01
      4   0.366171D+01 -0.445379D+00 -0.908861D+01 -0.113774D+01 -0.267314D+01
      5  -0.163369D+00 -0.657107D+01 -0.615845D+01 -0.153870D+01 -0.748842D+01
      6   0.101763D+01 -0.294045D+02 -0.301062D+01  0.114503D+00 -0.413736D+01
                31            32            33            34            35 
      1  -0.234223D+00  0.204956D+02 -0.475189D-01 -0.444597D+01 -0.413806D+00
      2   0.143969D+01 -0.206418D+02 -0.347764D+01 -0.178156D+01 -0.263613D+01
      3  -0.120547D+01  0.146154D+00  0.352516D+01  0.622754D+01  0.304994D+01
      4  -0.623445D+01  0.763763D+00 -0.277357D+01  0.145355D+01 -0.153169D+01
      5   0.253619D+01 -0.205739D+01 -0.826090D+01 -0.375172D+01  0.652793D+00
      6  -0.123935D+00  0.101451D+01 -0.887210D+01 -0.214952D+01 -0.929775D+00
                36            37            38            39            40 
      1   0.100276D+02  0.211236D+02 -0.408121D+01 -0.126433D+01 -0.102997D+01
      2   0.106967D+02 -0.144204D+02  0.439186D+01 -0.150360D+01  0.328664D+00
      3  -0.207243D+02 -0.670323D+01 -0.310655D+00  0.276793D+01  0.701308D+00
      4   0.118608D+01 -0.732845D+01  0.157016D+02 -0.163337D+01  0.159339D+02
      5   0.378624D+02  0.226578D+01 -0.744151D-01  0.205388D+02 -0.210192D+01
      6   0.625593D+01 -0.625105D+00  0.272450D+01  0.907451D+01  0.174123D+00
                41            42            43            44            45 
      1  -0.160424D+02  0.345400D+01  0.626992D+01  0.417064D+01 -0.728134D+01
      2   0.224211D+02  0.107124D+00 -0.600238D+01 -0.414854D+01 -0.589078D+01
      3  -0.637870D+01 -0.356112D+01 -0.267547D+00 -0.221067D-01  0.131721D+02
      4  -0.763826D+00  0.153086D+01 -0.481515D+01  0.232600D+01 -0.246298D+01
      5   0.547715D+00  0.825895D+01  0.786667D+01  0.263328D-01  0.850313D+00
      6  -0.365093D+01  0.136030D+02 -0.353907D+00  0.776372D+01  0.133003D+01
                46            47            48            49            50 
      1  -0.208542D+02  0.103316D+02  0.638104D+01 -0.228153D+01  0.103730D+02
      2   0.192862D+02 -0.125629D+02 -0.136624D+01 -0.358836D+01 -0.256233D+02
      3   0.156808D+01  0.223128D+01 -0.501480D+01  0.586988D+01  0.152503D+02
      4   0.466558D+01 -0.106057D+02  0.604003D+00 -0.141121D+02 -0.133254D+02
      5   0.168312D+00 -0.139507D+00 -0.162430D+02  0.191635D+01  0.931494D+00
      6  -0.171310D+00 -0.345299D+01 -0.744961D+01  0.101900D+01  0.178373D+01
                51            52            53            54            55 
      1  -0.609650D+00  0.268670D+01 -0.120016D+01  0.130915D+02 -0.244535D+02
      2   0.134654D+00  0.650713D+00  0.109093D+02  0.119351D+02  0.186793D+02
      3   0.474996D+00 -0.333741D+01 -0.970916D+01 -0.250266D+02  0.577418D+01
      4   0.208561D+01  0.405748D+01 -0.213536D+00 -0.593272D+00  0.532795D+01
      5   0.510203D+00 -0.400311D+01 -0.266107D+01 -0.202896D+02 -0.876408D+01
      6  -0.552650D+01 -0.174332D+01 -0.409740D+01 -0.374279D+02  0.811673D+01
                56            57            58            59            60 
      1  -0.125560D+01 -0.603476D+01 -0.703908D+01 -0.114651D+02 -0.485474D+01
      2  -0.564489D+01  0.545491D+01 -0.467173D+01  0.313682D+02  0.256427D+01
      3   0.690049D+01  0.579848D+00  0.117108D+02 -0.199031D+02  0.229047D+01
      4   0.211295D+02  0.581599D+01  0.306183D+02 -0.375617D+02 -0.534377D+01
      5   0.199720D+01  0.651106D+01  0.261492D+01 -0.552540D+01 -0.513718D+01
      6  -0.254048D+01 -0.846390D+00 -0.277527D+01  0.799562D+01  0.131565D+02
                61            62            63            64            65 
      1  -0.117398D+02 -0.279178D+01 -0.695153D+01 -0.371045D+00 -0.505087D+00
      2   0.461786D+01  0.821093D+01 -0.768539D+00 -0.258496D+01 -0.756226D+00
      3   0.712190D+01 -0.541916D+01  0.772007D+01  0.295601D+01  0.126131D+01
      4   0.150304D+02 -0.130841D+02 -0.737429D+01 -0.575434D+00  0.414429D+01
      5   0.891350D+01 -0.803683D+01 -0.503221D+01  0.295655D+01 -0.507876D+00
      6  -0.460777D+01  0.133557D+02  0.445394D+01 -0.236181D+01 -0.596600D+00
                66            67            68            69            70 
      1   0.311337D+01 -0.344811D+00 -0.301672D+01  0.232146D+01  0.398484D+01
      2  -0.167359D+01 -0.821324D+00  0.852922D+00 -0.287308D+01 -0.267770D+01
      3  -0.143977D+01  0.116613D+01  0.216380D+01  0.551619D+00 -0.130715D+01
      4  -0.243058D+01  0.387647D+01 -0.136979D+01  0.280342D+01 -0.464243D+01
      5   0.748682D+01  0.260369D+00  0.256150D+01 -0.975249D-01  0.615300D+01
      6   0.101429D+01  0.225752D+00 -0.332579D+01  0.823610D+01 -0.136565D+01
                71            72            73            74            75 
      1   0.346327D+01 -0.184113D+02  0.650241D+02  0.334923D+00  0.436009D+01
      2  -0.318961D+01 -0.169749D+02 -0.405316D+02 -0.211579D+01 -0.642952D+01
      3  -0.273661D+00  0.353862D+02 -0.244924D+02  0.178087D+01  0.206944D+01
      4   0.503266D+01 -0.161539D+01  0.477981D+01  0.400563D+01  0.206157D+01
      5  -0.196746D+01  0.238917D+02  0.108673D+02  0.197457D+01  0.131399D+02
      6   0.666718D+01 -0.225296D+02  0.138954D+01  0.133872D+01  0.241762D+00
                76            77            78            79            80 
      1  -0.149836D+02 -0.603978D+01 -0.180761D+01  0.181742D+02  0.222914D+01
      2   0.528375D+01 -0.991338D+00  0.198794D+01 -0.114874D+02  0.812107D+00
      3   0.969984D+01  0.703112D+01 -0.180336D+00 -0.668682D+01 -0.304124D+01
      4  -0.838239D+01 -0.306091D+02  0.545600D+01  0.650597D+01  0.944560D+01
      5   0.354236D+00  0.646237D+01 -0.404191D+01  0.175682D+02  0.134538D+01
      6  -0.105326D+00  0.101872D+01  0.453494D+01  0.253887D+01  0.473358D+01
                81            82            83            84            85 
      1   0.404013D+01  0.286225D+01  0.148062D+01 -0.493327D+01  0.159797D+01
      2  -0.110869D+02 -0.456555D+01 -0.974624D+00  0.257989D+01 -0.942824D+00
      3   0.704677D+01  0.170330D+01 -0.505998D+00  0.235338D+01 -0.655141D+00
      4   0.148978D+01  0.133320D+01  0.912881D+00 -0.776152D+00  0.126261D+01
      5   0.549788D+01 -0.382928D+01 -0.205094D+00  0.677065D+01  0.117930D+00
      6   0.167125D+01 -0.804269D+00  0.367253D+00 -0.714980D+00 -0.695327D+00
                86            87            88            89            90 
      1  -0.509470D+01  0.166339D+01 -0.705219D+01  0.118019D+01 -0.184385D+02
      2   0.100968D+01 -0.119784D+01  0.522924D+01 -0.972096D+00 -0.177058D+02
      3   0.408502D+01 -0.465559D+00  0.182295D+01 -0.208096D+00  0.361444D+02
      4   0.419597D-01 -0.395844D+01 -0.258027D+01 -0.565407D+01  0.127859D+01
      5  -0.426838D+01  0.102373D+01  0.705778D+01  0.213234D+01 -0.332655D+02
      6  -0.187597D+01  0.950035D+01  0.481420D+00  0.615777D+01 -0.992105D+01
                91            92            93            94            95 
      1   0.199497D+01 -0.139596D+01  0.111471D+01 -0.204851D+01 -0.407449D+01
      2  -0.509651D+01  0.191642D+01 -0.274098D+00  0.238590D+01  0.165533D+01
      3   0.310154D+01 -0.520464D+00 -0.840614D+00 -0.337384D+00  0.241916D+01
      4  -0.555389D+00  0.196683D+01  0.244323D+01  0.236620D+01  0.136222D+01
      5   0.928890D+00  0.300423D+00  0.746748D+01 -0.145158D+00  0.646128D+00
      6   0.316319D+01 -0.138283D+00 -0.362183D+00  0.207621D+00  0.294826D+01
                96            97            98            99           100 
      1  -0.221168D+01  0.100856D+01 -0.507512D+01 -0.197892D+02  0.125239D+02
      2   0.396329D+01 -0.142733D+01  0.642618D+01 -0.183052D+02 -0.637458D+01
      3  -0.175160D+01  0.418765D+00 -0.135106D+01  0.380944D+02 -0.614933D+01
      4   0.948119D+00  0.399018D+01  0.173632D+01  0.377655D+00  0.212227D+02
      5  -0.361293D+00  0.552030D+01  0.241814D+00  0.632401D+01 -0.203287D+01
      6   0.727042D+01  0.100640D+01  0.647543D+01  0.267885D+02 -0.514892D+01
               101           102           103           104           105 
      1  -0.220784D+02  0.141689D+00 -0.129745D+02 -0.719245D+01  0.610822D+01
      2   0.387455D+02  0.195626D+01  0.251476D+02  0.166076D+02 -0.375574D+01
      3  -0.166671D+02 -0.209795D+01 -0.121730D+02 -0.941511D+01 -0.235249D+01
      4   0.145988D+02 -0.425458D+01  0.153482D+02  0.293985D+02 -0.552452D+00
      5  -0.534455D+00  0.877788D+01 -0.884980D+00 -0.310688D+01  0.270518D+01
      6  -0.802065D+00  0.658735D+01  0.536407D+00 -0.808562D+01  0.104060D+02
               106           107           108           109           110 
      1  -0.908910D+00  0.103993D+02 -0.784913D+01  0.352906D+01  0.258967D+01
      2  -0.415375D+00 -0.156591D+02  0.556395D+00 -0.497949D+01 -0.166879D+01
      3   0.132428D+01  0.525976D+01  0.729273D+01  0.145043D+01 -0.920874D+00
      4  -0.724524D+01 -0.452512D+01  0.520043D+01  0.820212D+01 -0.209748D+02
      5   0.632075D+01  0.321399D+01 -0.799201D+00  0.148633D+02  0.280577D+01
      6   0.614226D+01  0.135392D+02 -0.493139D+01  0.366263D+01  0.284687D+01
               111           112           113           114           115 
      1   0.643616D+01  0.157473D+02 -0.259691D+02  0.360102D+01  0.183506D+02
      2  -0.689247D+01 -0.120832D+02  0.588598D+01  0.453872D+01 -0.541432D+01
      3   0.456311D+00 -0.366410D+01  0.200831D+02 -0.813975D+01 -0.129362D+02
      4   0.441861D+01 -0.374403D+02 -0.213335D+02  0.861636D+01 -0.235462D+01
      5   0.370666D+00 -0.103847D+01  0.972160D+01  0.221091D+01 -0.658102D+01
      6   0.649407D+01  0.867558D+00  0.134791D+01 -0.583068D+01 -0.114925D+01
               116           117           118           119           120 
      1   0.150866D+01  0.113706D+02  0.443011D+01  0.114583D+01 -0.299673D+01
      2   0.156836D+01  0.140632D+02 -0.569327D+01 -0.100900D+01  0.192893D+01
      3  -0.307702D+01 -0.254337D+02  0.126315D+01 -0.136833D+00  0.106780D+01
      4   0.122114D+02 -0.127234D+02  0.812792D+00  0.174296D+01  0.590997D+00
      5  -0.101596D+02 -0.506817D+02 -0.349343D+01  0.381425D+00  0.986475D+01
      6  -0.180110D+01 -0.405605D+01 -0.225704D+00 -0.294546D-01 -0.486070D+00
               121           122           123           124           125 
      1   0.144724D+01 -0.551093D+01 -0.101634D+01 -0.619136D+01  0.118128D+01
      2  -0.117674D+01  0.202424D+01  0.119221D+00  0.770219D+01  0.984743D-01
      3  -0.270491D+00  0.348669D+01  0.897121D+00 -0.151083D+01 -0.127975D+01
      4   0.206714D+01  0.431521D+00 -0.248894D+01 -0.694489D+00 -0.362614D+01
      5  -0.818108D+00 -0.357924D+01  0.152958D+01  0.936917D+01  0.113393D+01
      6  -0.677932D+00 -0.396621D+00  0.863419D+01  0.108289D+01  0.567181D+01
               126           127           128           129           130 
      1  -0.182282D+02  0.805920D+01 -0.427016D+01  0.111009D+01 -0.826987D+00
      2  -0.186386D+02  0.207750D+01  0.107961D+02 -0.296729D+00  0.812822D+01
      3   0.368668D+02 -0.101367D+02 -0.652599D+01 -0.813361D+00 -0.730123D+01
      4   0.470466D+00  0.836327D+01  0.193626D+02 -0.111752D+01  0.214797D+02
      5  -0.287424D+02 -0.176963D+01 -0.149857D+01  0.818363D+01 -0.173620D+01
      6  -0.352110D+01 -0.130112D+01 -0.225901D+01  0.473920D+01 -0.348245D+00
               131           132           133           134           135 
      1  -0.364003D+02 -0.863139D-03 -0.241288D+00 -0.688732D+01  0.506717D+01
      2   0.683269D+02  0.172223D+01  0.641496D+00  0.537441D+01 -0.212283D+01
      3  -0.319266D+02 -0.172137D+01 -0.400208D+00  0.151291D+01 -0.294434D+01
      4   0.255090D+02 -0.404101D+00  0.829701D+00  0.139496D+01  0.146799D+01
      5  -0.147802D+00 -0.656388D-01  0.548515D+01 -0.264367D+00  0.995416D+01
      6  -0.122759D+01  0.841484D+01  0.267325D+01  0.149030D+01  0.332335D+02
               136           137           138           139           140 
      1   0.760752D+00 -0.903246D+00  0.144652D+01 -0.149383D+01 -0.598400D+01
      2  -0.378795D+01  0.951261D+00 -0.132252D+00  0.177837D+01  0.446451D+01
      3   0.302720D+01 -0.480146D-01 -0.131426D+01 -0.284540D+00  0.151948D+01
      4  -0.149410D+00  0.363642D+01  0.381958D+01  0.284869D+01  0.223890D+01
      5   0.185206D+01  0.105226D+01  0.877030D+01  0.133752D+00  0.134652D+01
      6   0.456804D+01  0.325038D+00  0.102347D+01  0.225790D+00  0.443639D+01
               141           142           143           144           145 
      1  -0.243833D+01  0.667641D+00 -0.795018D+01 -0.221290D+02  0.488723D+02
      2   0.389833D+01 -0.806821D+00  0.528576D+01 -0.139323D+02 -0.228423D+02
      3  -0.145999D+01  0.139180D+00  0.266442D+01  0.360613D+02 -0.260301D+02
      4   0.114270D+01  0.527475D+01  0.417484D+01  0.191623D+01 -0.362561D+02
      5  -0.256002D+00  0.656163D+01  0.284972D+01  0.139842D+02  0.229816D+01
      6   0.826494D+01  0.239109D+01  0.116416D+02  0.333350D+02 -0.394522D+01
               146           147           148           149           150 
      1  -0.317261D+01  0.489168D+01  0.216961D+01  0.230407D+01  0.852053D+00
      2  -0.432737D+01 -0.196386D+01 -0.299721D+01  0.235598D+00 -0.112004D+01
      3   0.749998D+01 -0.292783D+01  0.827597D+00 -0.253967D+01  0.267990D+00
      4   0.144610D+02 -0.230036D+01  0.366514D+01 -0.123160D+01  0.841573D+00
      5   0.221069D+00  0.754396D+01  0.502778D+00  0.100410D+01 -0.946960D+00
      6  -0.374721D+00 -0.594160D+01 -0.356001D+00 -0.474709D+00  0.223854D-01
               151           152           153           154           155 
      1   0.921099D+01 -0.120043D+00  0.366118D+01  0.151276D+02  0.100344D+02
      2  -0.497426D+01 -0.125381D+01 -0.210777D+01 -0.430766D+01 -0.133929D+01
      3  -0.423673D+01  0.137385D+01 -0.155342D+01 -0.108200D+02 -0.869515D+01
      4  -0.680726D+01  0.269261D+01 -0.338954D+01  0.151238D+02  0.180885D+02
      5   0.600098D+01 -0.114683D+01  0.163732D+01 -0.313751D+00  0.292544D-01
      6  -0.355064D+01  0.179762D+01 -0.247463D+00  0.158412D+00  0.103789D+01
               156           157           158           159           160 
      1  -0.137279D+01  0.244022D+02  0.108891D+02  0.289812D+00 -0.341279D+01
      2   0.181262D+00 -0.791730D+01  0.663067D+01 -0.164322D+01  0.140786D+01
      3   0.119153D+01 -0.164849D+02 -0.175198D+02  0.135341D+01  0.200493D+01
      4  -0.507606D+00  0.278462D+02  0.400347D+02 -0.172716D+01 -0.347569D+01
      5   0.438492D+01  0.576636D+00 -0.209197D+01  0.774141D+01  0.437834D+01
      6   0.198641D+01  0.133527D+01  0.113878D+01  0.288525D+01  0.164901D+01
               161           162           163           164           165 
      1  -0.117055D+01  0.196688D+01 -0.617048D+01  0.178007D+02  0.235952D+00
      2  -0.720471D+00 -0.667200D+00  0.103691D+02 -0.284489D+02 -0.976705D+00
      3   0.189102D+01 -0.129968D+01 -0.419866D+01  0.106481D+02  0.740753D+00
      4  -0.488826D+01  0.362041D+01 -0.102463D+02  0.642199D+01  0.135785D+01
      5   0.362027D+01  0.150577D+00  0.369789D+00 -0.895866D+00 -0.135611D+01
      6   0.275438D+01 -0.799104D+00  0.162274D+01 -0.520215D+00 -0.380012D+01
               166           167           168           169           170 
      1   0.899209D+01 -0.289439D+02 -0.613868D+00  0.104795D+01 -0.392217D+01
      2  -0.135109D+02  0.487604D+02  0.205732D+01 -0.167510D+01  0.581471D+01
      3   0.451886D+01 -0.198164D+02 -0.144345D+01  0.627149D+00 -0.189254D+01
      4   0.985871D+01 -0.648721D+01 -0.423661D+00  0.169262D+01 -0.120586D+01
      5  -0.737203D+00  0.101504D+01  0.463302D+00  0.978952D+00  0.114206D+00
      6  -0.689051D+00  0.853187D+00  0.732355D+01 -0.167293D+01  0.550182D+01
               171           172           173           174           175 
      1  -0.286274D+01  0.692067D+02 -0.995747D+01 -0.762931D+01 -0.106024D+02
      2   0.374919D+01 -0.363559D+02 -0.239016D+01  0.749315D+01  0.991516D+00
      3  -0.886448D+00 -0.328509D+02  0.123476D+02  0.136163D+00  0.961092D+01
      4  -0.866474D+00 -0.270978D+02  0.334586D+02  0.557555D+00  0.356247D+02
      5  -0.855263D+00 -0.111712D+02 -0.173909D+00  0.158928D+02  0.114331D+01
      6   0.282603D+00  0.969931D+00 -0.577538D+00 -0.576398D+01 -0.393820D+00
               176           177           178           179           180 
      1   0.298391D+02 -0.550916D+01 -0.185811D+02  0.582801D+00  0.600761D+01
      2  -0.170215D+02  0.740081D+00  0.101394D+02  0.227085D+01 -0.122763D+02
      3  -0.128177D+02  0.476907D+01  0.844172D+01 -0.285365D+01  0.626871D+01
      4   0.501133D+01 -0.526429D+01  0.777190D+01 -0.113890D+02 -0.546798D+01
      5  -0.704654D+01  0.787943D+00  0.207480D+02 -0.603398D+01 -0.598740D+01
      6   0.328648D+01  0.998740D+01 -0.392838D+01  0.662322D+01  0.424803D+01
               181           182           183           184           185 
      1  -0.155012D+01  0.168665D+01  0.836374D+01 -0.246666D+01  0.425227D+00
      2  -0.189395D+01 -0.501279D+00 -0.398826D+01  0.210421D+01 -0.146567D+01
      3   0.344408D+01 -0.118537D+01 -0.437547D+01  0.362452D+00  0.104044D+01
      4   0.131925D+01  0.396789D+01 -0.173552D+00  0.622361D+01  0.331914D+01
      5   0.646240D+01 -0.126198D+00  0.484271D+01  0.662115D-01  0.514413D+01
      6  -0.812657D-01 -0.816769D+00 -0.548157D+00  0.384884D+00  0.953296D+00
               186           187           188           189           190 
      1  -0.122901D+01  0.122329D+02 -0.489116D+01 -0.161860D+02  0.204702D+02
      2   0.385298D+00 -0.977864D+01  0.266059D+00 -0.207508D+02 -0.727123D+01
      3   0.843711D+00 -0.245425D+01  0.462510D+01  0.369368D+02 -0.131990D+02
      4   0.522930D+01  0.256947D+00  0.932808D+01  0.990805D+01  0.186078D+02
      5  -0.138071D+01  0.145561D+02  0.771586D+01  0.556090D+02 -0.491712D+01
      6   0.663506D+01  0.102846D+01  0.681267D+01  0.513660D+01 -0.116864D+01
               191           192           193           194           195 
      1   0.133526D+02 -0.494693D+01  0.195521D+02  0.997560D+01 -0.729853D+00
      2  -0.391621D+01  0.167758D+01 -0.632720D+01  0.732200D+01 -0.150106D+01
      3  -0.943637D+01  0.326935D+01 -0.132249D+02 -0.172976D+02  0.223091D+01
      4   0.213492D+02 -0.241909D+01  0.257526D+02  0.423431D+02 -0.639826D+01
      5  -0.182469D+01  0.609082D+01 -0.177573D+01 -0.584509D+01  0.695586D+01
      6  -0.485975D+00  0.204379D+01 -0.429219D+00 -0.202568D+01  0.425388D+01
               196           197           198           199           200 
      1  -0.102240D+02 -0.189984D+01  0.194658D+01 -0.176602D+01  0.205961D+01
      2   0.454379D+01 -0.508538D+00 -0.265433D+01  0.913354D+00 -0.196650D+01
      3   0.568017D+01  0.240838D+01  0.707758D+00  0.852662D+00 -0.931122D-01
      4  -0.454133D+01 -0.116320D+02  0.759367D+01  0.171512D+00  0.193270D+01
      5   0.745192D+01  0.775253D+01 -0.161126D+01 -0.379503D-01 -0.403671D+00
      6   0.219116D+01  0.433606D+01 -0.238199D+01 -0.247581D+01  0.168256D+01
               201           202           203           204           205 
      1  -0.219780D+01  0.108977D+01 -0.525289D+01  0.284393D+01 -0.250510D+01
      2   0.106126D+01 -0.704040D+00  0.754068D+01 -0.488500D+01  0.247426D+00
      3   0.113654D+01 -0.385726D+00 -0.228778D+01  0.204107D+01  0.225768D+01
      4  -0.250180D+01  0.267309D+01  0.147291D+01 -0.126718D+01 -0.761071D+01
      5   0.288323D+00 -0.293911D+00 -0.110775D+01  0.182530D+01  0.228637D+01
      6  -0.453109D+01 -0.269318D+00 -0.511668D+01  0.691353D+01  0.191716D+00
               206           207           208           209           210 
      1   0.140180D+02 -0.166478D+02 -0.110440D+02 -0.831782D+01  0.178635D+01
      2  -0.164445D+02  0.576598D+01  0.746465D+01  0.833747D+01 -0.894853D+00
      3   0.242650D+01  0.108818D+02  0.357937D+01 -0.196457D-01 -0.891499D+00
      4  -0.574152D+01  0.277612D+01  0.946482D+00 -0.106124D+02  0.212517D-01
      5   0.434390D+01 -0.112432D+02  0.136571D+01  0.104014D+01 -0.248542D+01
      6   0.182834D+02 -0.395189D+02 -0.681315D+00 -0.660254D+00  0.249757D+00
               211           212           213           214           215 
      1  -0.199480D+02 -0.166354D+02  0.196588D+01  0.332254D+01  0.290724D+01
      2   0.118075D+02  0.246003D+02 -0.260532D+01 -0.201091D+01 -0.299904D+01
      3   0.814046D+01 -0.796493D+01  0.639436D+00 -0.131163D+01  0.918008D-01
      4   0.395729D+01 -0.380261D+02  0.143987D+01  0.923224D-01  0.489047D+01
      5   0.205578D+01  0.264417D+01 -0.947156D+01  0.142162D+01 -0.316857D+01
      6   0.457686D-01 -0.126732D+01  0.359340D+01  0.423956D+00  0.350624D+01
               216 
      1  -0.116325D+01
      2   0.130603D+01
      3  -0.142780D+00
      4  -0.254199D+01
      5  -0.513640D+00
      6  -0.576535D+00
 Leave Link  716 at Wed Mar 16 20:08:30 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124305D+03  0.163928D+01  0.248632D+00
      2   0.163928D+01  0.119383D+03 -0.175408D+00
      3   0.248632D+00 -0.175408D+00  0.997468D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.101764D+01 -0.358462D+01 -0.379684D+01
      2  -0.316397D+01  0.133647D+01  0.726774D+01
      3   0.117708D+02 -0.127958D+02 -0.350361D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.313374D+02 -0.174524D+02 -0.959894D+01
      2  -0.264575D+02  0.192589D+02  0.568755D+01
      3  -0.487989D+01 -0.180651D+01  0.391139D+01
      4   0.540850D+00 -0.731164D+01 -0.451162D-01
      5  -0.532358D+01  0.101251D+01  0.130799D+02
      6  -0.550851D+01  0.573731D+01  0.594841D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.295527D+01 -0.294062D+01 -0.132347D+01 -0.327637D+01  0.346658D+01
      2  -0.294062D+01  0.416185D+01  0.276549D+00  0.346658D+01  0.225478D+00
      3  -0.132347D+01  0.276549D+00 -0.136066D+01  0.420456D+00 -0.119658D+01
                 6             7             8             9            10 
      1   0.420456D+00 -0.175606D+01  0.845666D+00  0.102416D+00  0.452377D+01
      2  -0.119658D+01  0.845666D+00 -0.209758D+01 -0.854242D+00  0.244923D+01
      3   0.979912D+00  0.102416D+00 -0.854242D+00  0.122826D+02  0.165314D+01
                11            12            13            14            15 
      1   0.244923D+01  0.165314D+01  0.245722D+01 -0.304176D+01 -0.228849D+00
      2  -0.227957D+01 -0.168183D-01 -0.304176D+01 -0.168219D+01  0.789830D+00
      3  -0.168183D-01 -0.248529D+01 -0.228849D+00  0.789830D+00  0.642459D+00
                16            17            18            19            20 
      1   0.318031D+01 -0.229336D+00  0.158626D+00  0.261451D+01  0.264221D+01
      2  -0.229336D+00  0.972922D+00  0.612884D+00  0.264221D+01 -0.341383D+01
      3   0.158626D+00  0.612884D+00 -0.123400D+02  0.110742D+01  0.183932D+00
                21            22            23            24            25 
      1   0.110742D+01  0.208674D+01 -0.447662D+01 -0.676143D-01  0.154761D+01
      2   0.183932D+00 -0.447662D+01 -0.254175D+01  0.144883D+01  0.564640D+00
      3   0.626382D+00 -0.676143D-01  0.144883D+01  0.198450D+01 -0.260907D+00
                26            27            28            29            30 
      1   0.564640D+00 -0.260907D+00 -0.233798D+01 -0.226444D+00 -0.120397D+01
      2   0.276089D+01  0.339688D+00 -0.226444D+00  0.394423D+01 -0.373391D+00
      3   0.339688D+00 -0.120104D+02 -0.120397D+01 -0.373391D+00 -0.614815D+00
                31            32            33            34            35 
      1   0.705224D+00  0.524650D+01  0.773954D+00 -0.186451D+01  0.186216D+00
      2   0.524650D+01  0.302337D+01 -0.127739D+01  0.186216D+00 -0.202398D+01
      3   0.773954D+00 -0.127739D+01 -0.122379D+01 -0.615031D+00  0.150135D+00
                36            37            38            39            40 
      1  -0.615031D+00  0.725199D+01 -0.275419D+00  0.815488D+00 -0.174320D+01
      2   0.150135D+00 -0.275419D+00 -0.455016D+00 -0.776629D+00 -0.961751D+00
      3   0.123349D+02  0.815488D+00 -0.776629D+00 -0.450544D+00 -0.455441D+00
                41            42            43            44            45 
      1  -0.961751D+00 -0.455441D+00  0.352509D+01  0.707940D+00  0.545123D+00
      2  -0.542882D+01  0.869544D+00  0.707940D+00  0.226843D+01 -0.760046D+00
      3   0.869544D+00  0.101686D+01  0.545123D+00 -0.760046D+00 -0.223613D+01
                46            47            48            49            50 
      1  -0.439088D+01 -0.359284D+01 -0.745317D+00 -0.191902D+01  0.260599D+01
      2  -0.359284D+01  0.148623D+01  0.114885D+01  0.260599D+01  0.180684D+01
      3  -0.745317D+00  0.114885D+01  0.673325D+00  0.426312D-01 -0.334180D+00
                51            52            53            54            55 
      1   0.426312D-01 -0.273938D+01  0.212761D+00  0.311492D+00  0.399220D+01
      2  -0.334180D+00  0.212761D+00 -0.192075D+01  0.659991D+00  0.254279D+01
      3  -0.323251D+01  0.311492D+00  0.659991D+00  0.119037D+02  0.179221D+01
                56            57            58            59            60 
      1   0.254279D+01  0.179221D+01  0.384385D+01 -0.352765D+01 -0.183934D+00
      2  -0.173074D+01 -0.417145D-01 -0.352765D+01  0.799339D+01  0.131661D+01
      3  -0.417145D-01  0.159414D+01 -0.183934D+00  0.131661D+01 -0.345090D+00
                61            62            63            64            65 
      1   0.353527D+01 -0.129931D+01 -0.885783D+00  0.559867D+00  0.399049D+00
      2  -0.129931D+01  0.271604D+01  0.172464D+01  0.399049D+00 -0.718052D+00
      3  -0.885783D+00  0.172464D+01 -0.112274D+00 -0.105113D+01  0.501126D-01
                66            67            68            69            70 
      1  -0.105113D+01  0.560650D+00 -0.602016D+00  0.804043D-01 -0.221979D+01
      2   0.501126D-01 -0.602016D+00  0.239449D-01 -0.115360D+01  0.166620D+00
      3   0.655846D-01  0.804043D-01 -0.115360D+01  0.406023D+00 -0.504659D+00
                71            72            73            74            75 
      1   0.166620D+00 -0.504659D+00 -0.959042D+01 -0.180837D+00 -0.127080D+01
      2  -0.208013D+01  0.862142D+00 -0.180837D+00  0.100031D+01 -0.239844D+00
      3   0.862142D+00 -0.991244D+01 -0.127080D+01 -0.239844D+00  0.137317D+01
                76            77            78            79            80 
      1   0.345390D+01  0.106704D+01  0.132086D+00 -0.351458D+01 -0.745642D+00
      2   0.106704D+01  0.533985D+01 -0.121943D+01 -0.745642D+00 -0.167338D+01
      3   0.132086D+00 -0.121943D+01  0.136931D+01 -0.176534D+01 -0.242637D+00
                81            82            83            84            85 
      1  -0.176534D+01 -0.772672D+00 -0.386809D+00  0.112771D+01 -0.464387D+00
      2  -0.242637D+00 -0.386809D+00  0.523668D+00  0.329681D-01  0.479436D+00
      3   0.917833D-01  0.112771D+01  0.329681D-01  0.261802D-01  0.362140D-01
                86            87            88            89            90 
      1   0.479436D+00  0.362140D-01  0.210508D+01  0.224092D+00 -0.640010D+00
      2   0.161720D+00  0.119782D+01  0.224092D+00  0.203346D+01 -0.578380D+00
      3   0.119782D+01 -0.593755D+00 -0.640010D+00 -0.578380D+00  0.100325D+02
                91            92            93            94            95 
      1  -0.195366D+00 -0.537555D+00  0.109967D+01 -0.362706D+00  0.694342D+00
      2  -0.537555D+00  0.634290D+00  0.461477D-01  0.694342D+00  0.495462D+00
      3   0.109967D+01  0.461477D-01  0.874035D-01  0.944990D-01  0.114326D+01
                96            97            98            99           100 
      1   0.944990D-01  0.213710D+01 -0.955096D-01  0.364378D+00  0.477600D+01
      2   0.114326D+01 -0.955096D-01  0.215698D+01  0.512210D+00  0.728342D+00
      3  -0.104198D-01  0.364378D+00  0.512210D+00  0.100808D+02 -0.114667D+01
               101           102           103           104           105 
      1   0.728342D+00 -0.114667D+01 -0.464809D+00  0.501967D+01  0.172770D+00
      2   0.677286D+01  0.126129D-02  0.501967D+01  0.324816D+01 -0.109096D+01
      3   0.126129D-02  0.458542D+00  0.172770D+00 -0.109096D+01 -0.169707D+01
               106           107           108           109           110 
      1  -0.147995D+01 -0.368472D+00  0.947515D+00  0.306251D+01  0.299854D+00
      2  -0.368472D+00 -0.313539D+01  0.139380D+01  0.299854D+00 -0.301418D+01
      3   0.947515D+00  0.139380D+01  0.213423D+00  0.212922D+01  0.548436D+00
               111           112           113           114           115 
      1   0.212922D+01  0.681993D+00 -0.557024D+01  0.788460D-01  0.300970D+01
      2   0.548436D+00 -0.557024D+01 -0.383836D+01  0.167921D+01 -0.178638D+00
      3   0.188956D+01  0.788460D-01  0.167921D+01 -0.894290D+00 -0.110712D+01
               116           117           118           119           120 
      1  -0.178638D+00 -0.110712D+01  0.123995D+01  0.286221D+00 -0.119810D+01
      2   0.203122D+01 -0.187193D+01  0.286221D+00 -0.410076D+00  0.856071D-01
      3  -0.187193D+01 -0.105280D+02 -0.119810D+01  0.856071D-01  0.909917D+00
               121           122           123           124           125 
      1   0.222909D+00 -0.507040D+00 -0.357929D+00 -0.255207D+01 -0.270234D+00
      2  -0.507040D+00 -0.193306D-01 -0.118169D+01 -0.270234D+00 -0.196057D+01
      3  -0.357929D+00 -0.118169D+01  0.231347D+00  0.138921D+01  0.321789D+00
               126           127           128           129           130 
      1   0.138921D+01 -0.141574D+01 -0.184582D+01  0.352644D+00 -0.190985D+01
      2   0.321789D+00 -0.184582D+01 -0.160002D+01  0.286545D+00 -0.182658D+01
      3  -0.997099D+01  0.352644D+00  0.286545D+00 -0.405889D+00 -0.108555D+00
               131           132           133           134           135 
      1  -0.182658D+01 -0.108555D+00 -0.287774D+00 -0.788148D-01 -0.376349D+00
      2  -0.101659D+02 -0.285635D+00 -0.788148D-01 -0.213505D+01  0.780249D+00
      3  -0.285635D+00  0.182028D+01 -0.376349D+00  0.780249D+00 -0.702051D+01
               136           137           138           139           140 
      1   0.190256D+00  0.130643D+00 -0.132710D+01  0.129984D+00 -0.545900D+00
      2   0.130643D+00 -0.331554D+00 -0.259596D+00 -0.545900D+00 -0.116750D+01
      3  -0.132710D+01 -0.259596D+00 -0.168863D+00 -0.175711D-01 -0.115811D+01
               141           142           143           144           145 
      1  -0.175711D-01 -0.217369D+01 -0.588253D+00 -0.618351D+00 -0.101833D+02
      2  -0.115811D+01 -0.588253D+00 -0.214698D+01 -0.191170D+01  0.189036D+01
      3  -0.339682D+00 -0.618351D+00 -0.191170D+01 -0.101022D+02 -0.659169D+00
               146           147           148           149           150 
      1   0.189036D+01 -0.659169D+00 -0.766482D-01 -0.640304D+00 -0.762546D-01
      2  -0.245989D+01 -0.118036D+00 -0.640304D+00  0.157465D+00 -0.227303D+00
      3  -0.118036D+00 -0.178598D+01 -0.762546D-01 -0.227303D+00  0.233364D+00
               151           152           153           154           155 
      1  -0.197442D+01  0.269605D+00 -0.873773D+00 -0.293115D+01 -0.220402D+01
      2   0.269605D+00 -0.614025D+00  0.303061D+00 -0.220402D+01 -0.271071D+01
      3  -0.873773D+00  0.303061D+00 -0.137940D+00  0.115317D+00 -0.557666D-03
               156           157           158           159           160 
      1   0.115317D+00 -0.509163D+01 -0.353598D+01 -0.158433D+00  0.749911D+00
      2  -0.557666D-03 -0.353598D+01 -0.681548D+01  0.329993D+00  0.403809D+00
      3  -0.934301D+00 -0.158433D+00  0.329993D+00 -0.142843D+01 -0.608906D+00
               161           162           163           164           165 
      1   0.403809D+00 -0.608906D+00 -0.248892D+01  0.158125D+01  0.317020D+00
      2   0.866943D+00 -0.496263D+00  0.158125D+01 -0.460491D+01 -0.340362D-01
      3  -0.496263D+00 -0.676702D-02  0.317020D+00 -0.340362D-01 -0.676859D+00
               166           167           168           169           170 
      1   0.229343D+01 -0.172285D+01 -0.164323D+00  0.489198D+00 -0.257576D+00
      2  -0.172285D+01  0.787253D+01  0.169516D+00 -0.257576D+00  0.935957D+00
      3  -0.164323D+00  0.169516D+00  0.154971D+01 -0.127879D+00  0.722933D+00
               171           172           173           174           175 
      1  -0.127879D+00  0.878894D+01 -0.271412D+01 -0.153347D+01 -0.106256D+01
      2   0.722933D+00 -0.271412D+01  0.398369D+01 -0.159627D+00  0.433631D+01
      3  -0.938128D-01 -0.153347D+01 -0.159627D+00  0.912315D-01 -0.211516D-01
               176           177           178           179           180 
      1   0.433631D+01 -0.211516D-01 -0.279910D+01  0.766783D+00  0.200247D+01
      2   0.229155D+01 -0.823692D+00  0.766783D+00 -0.174641D+01 -0.710325D+00
      3  -0.823692D+00  0.145716D+01  0.200247D+01 -0.710325D+00 -0.422427D+00
               181           182           183           184           185 
      1  -0.498282D+00  0.341026D+00  0.115608D+01 -0.349786D+00  0.841160D+00
      2   0.341026D+00  0.323888D+00 -0.150160D+00  0.841160D+00  0.549329D+00
      3   0.115608D+01 -0.150160D+00 -0.467196D+00 -0.163870D-01  0.105426D+01
               186           187           188           189           190 
      1  -0.163870D-01  0.263181D+01 -0.220064D+00  0.156338D+01  0.300471D+01
      2   0.105426D+01 -0.220064D+00  0.181979D+01  0.142087D+01  0.248865D+01
      3  -0.163183D+00  0.156338D+01  0.142087D+01  0.105640D+02 -0.854218D+00
               191           192           193           194           195 
      1   0.248865D+01 -0.854218D+00  0.382772D+01  0.331842D+01 -0.279314D+00
      2   0.266688D+01 -0.279291D+00  0.331842D+01  0.688369D+01 -0.105973D+01
      3  -0.279291D+00  0.694373D+00 -0.279314D+00 -0.105973D+01  0.109897D+01
               196           197           198           199           200 
      1  -0.191493D+01 -0.527600D+00  0.986226D+00 -0.385520D-01 -0.333733D+00
      2  -0.527600D+00 -0.195912D+01  0.118641D+01 -0.333733D+00  0.259492D+00
      3   0.986226D+00  0.118641D+01 -0.842061D-01  0.413411D+00 -0.291789D+00
               201           202           203           204           205 
      1   0.413411D+00 -0.498522D+00 -0.366218D-01  0.640519D-01  0.176911D+01
      2  -0.291789D+00 -0.366218D-01 -0.141998D+01  0.791561D+00  0.360730D+00
      3   0.872492D+00  0.640519D-01  0.791561D+00 -0.110165D+01 -0.984301D-01
               206           207           208           209           210 
      1   0.360730D+00 -0.984301D-01 -0.220619D+01 -0.541391D+00  0.234083D+00
      2   0.397093D+01 -0.303166D+01 -0.541391D+00 -0.202885D+01  0.810861D-01
      3  -0.303166D+01  0.741620D+01  0.234083D+00  0.810861D-01 -0.119025D-01
               211           212           213           214           215 
      1  -0.304413D+01 -0.801205D-01  0.239844D+00  0.596061D+00  0.150588D+00
      2  -0.801205D-01 -0.699344D+01  0.217870D+00  0.150588D+00  0.959810D+00
      3   0.239844D+00  0.217870D+00 -0.176002D+01  0.111707D+00 -0.533620D+00
               216 
      1   0.111707D+00
      2  -0.533620D+00
      3   0.582181D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.139512D+01  0.271517D+00 -0.115606D+01 -0.194718D+01  0.681760D+00
      2   0.174488D+01 -0.420762D+00  0.306433D+00 -0.281401D+00  0.260589D+01
      3  -0.385872D+01 -0.150717D+01 -0.132225D+01  0.352738D+01  0.213278D+01
                 6             7             8             9            10 
      1   0.114958D+00 -0.101749D+00  0.408881D+01 -0.970189D+01  0.885466D+00
      2   0.673240D+00 -0.280262D+01  0.488201D+00 -0.112144D+02 -0.218355D+01
      3  -0.283131D+00  0.252766D+00 -0.204240D+01 -0.800477D+00  0.859197D+00
                11            12            13            14            15 
      1  -0.125322D+01 -0.138647D+00  0.506047D+00 -0.153848D+01 -0.124571D+01
      2  -0.152792D+01  0.144237D+01 -0.115465D+00 -0.275665D+01 -0.253199D+01
      3  -0.667202D+01 -0.876070D+00 -0.563712D+00 -0.387551D+00  0.232901D+01
                16            17            18            19            20 
      1  -0.957050D+00  0.257505D+01 -0.575458D+01 -0.100705D+01 -0.366313D+00
      2  -0.349095D+01 -0.143537D+01  0.147309D+02 -0.128553D+01  0.394402D+00
      3  -0.203385D+01  0.183067D+01  0.962383D+00  0.176681D+01  0.844819D+00
                21            22            23            24            25 
      1   0.101964D+01 -0.327936D+00 -0.224150D+01  0.778524D-01  0.140080D+01
      2   0.136393D+01 -0.116401D+01  0.413408D+00 -0.437235D+00 -0.324534D+01
      3   0.147844D+01  0.647694D+01 -0.513525D+01 -0.156519D+01  0.159844D+01
                26            27            28            29            30 
      1   0.263946D+01  0.116517D+02  0.931823D+00 -0.331153D+00  0.194504D+01
      2  -0.143020D+00 -0.271915D+01 -0.238477D+01 -0.609940D+00 -0.795159D+00
      3   0.566827D+00 -0.729914D+00 -0.617054D+01 -0.101285D+02 -0.458365D+00
                31            32            33            34            35 
      1  -0.121235D+01  0.158059D+01  0.279058D+01  0.204218D+01  0.312730D+01
      2  -0.102829D+01 -0.177560D+01 -0.301916D+01 -0.485692D+01  0.213769D+01
      3  -0.821527D+01 -0.289436D+01  0.249175D+01 -0.124769D+00  0.124059D+01
                36            37            38            39            40 
      1  -0.473547D+01  0.119121D+01  0.378809D+00 -0.384531D+01  0.930304D+00
      2   0.190898D+02  0.901836D+00  0.437508D+00  0.111653D+02  0.215270D+00
      3  -0.607617D+00 -0.978557D+01 -0.837826D+01 -0.984931D+00  0.135014D+02
                41            42            43            44            45 
      1   0.600907D+00 -0.771045D+01  0.280708D+01  0.546746D+01 -0.133350D+00
      2   0.136172D+01  0.315996D+01 -0.654875D+01 -0.278879D+01  0.799658D+00
      3   0.607274D+01 -0.100354D+01 -0.412562D+01 -0.257081D+01 -0.371670D+00
                46            47            48            49            50 
      1  -0.905144D+00  0.143654D+00  0.264798D+01 -0.580028D+00 -0.130638D+01
      2   0.144970D+01  0.212496D+00 -0.717794D+01 -0.463876D+00  0.153232D+01
      3   0.355605D+01  0.710283D+01  0.143168D+01  0.380699D+01  0.188334D+01
                51            52            53            54            55 
      1  -0.790570D+00 -0.125851D+01  0.306867D+01  0.155081D+02 -0.343201D+01
      2   0.457861D+00 -0.401867D+01 -0.238600D+01 -0.117779D+02 -0.719948D+01
      3  -0.152432D+01  0.364288D+01 -0.182368D+01  0.189456D-01  0.166037D+02
                56            57            58            59            60 
      1  -0.780082D-01  0.301991D+00  0.151468D+01 -0.229953D+01 -0.649968D+01
      2   0.195803D+01  0.172186D+01  0.211666D+00 -0.213909D+01 -0.282159D+01
      3  -0.226031D+01  0.281967D+01  0.919551D+01  0.984101D+01  0.114776D+01
                61            62            63            64            65 
      1   0.657873D+00  0.150277D+01 -0.219845D+01  0.769739D+00 -0.489270D-01
      2  -0.455433D+01 -0.182283D+01 -0.221714D+01  0.161663D+01 -0.237477D+00
      3   0.605076D+01  0.415429D+01  0.148759D+01  0.899550D+00 -0.152715D+01
                66            67            68            69            70 
      1  -0.607335D+00 -0.515946D-01  0.150102D+01 -0.109618D+01 -0.398167D-01
      2   0.108080D+01 -0.298988D-01  0.817055D+00  0.247063D+00 -0.450527D+01
      3  -0.824357D+00  0.112018D+01 -0.530534D+00 -0.113068D+01 -0.235327D+01
                71            72            73            74            75 
      1   0.427361D+01  0.920847D+01 -0.165672D+01 -0.594553D+00 -0.233057D+00
      2  -0.443308D+00  0.106022D+02  0.384632D+01  0.207842D+01  0.667656D+01
      3  -0.208719D+01  0.646337D+00  0.832266D+01 -0.412058D+01  0.203047D+00
                76            77            78            79            80 
      1  -0.271800D+01 -0.314646D+01 -0.125436D+01  0.431883D+00  0.471484D+01
      2   0.992684D+00  0.399622D+01 -0.267269D+01 -0.542827D+00 -0.163745D+00
      3   0.551249D+01  0.207090D+02 -0.245743D+01  0.153990D+01 -0.587466D+01
                81            82            83            84            85 
      1  -0.578545D+00  0.363588D+00  0.481975D+00  0.493682D+00  0.593571D+00
      2   0.259814D+01 -0.192948D+01  0.631128D-02  0.582348D+00  0.332922D+00
      3   0.614039D+00 -0.665163D-01 -0.188277D+00 -0.313644D+00  0.193972D+01
                86            87            88            89            90 
      1   0.683523D+00 -0.198965D+01  0.969643D-01  0.464483D+01  0.386179D+01
      2  -0.180730D+01  0.412494D+00 -0.407811D+01  0.649149D+00 -0.145684D+02
      3   0.328806D+00  0.137309D+01 -0.632332D+00  0.313251D+01  0.881984D-02
                91            92            93            94            95 
      1  -0.172429D+01  0.112790D+00  0.240557D+00 -0.145068D+00 -0.141549D+01
      2   0.446960D+00  0.686823D+00  0.913932D+00  0.638756D+00  0.258315D+00
      3   0.302410D-01 -0.184446D+01  0.129189D+01  0.611221D+00  0.531136D+00
                96            97            98            99           100 
      1  -0.725040D+00 -0.465654D+00  0.425707D+01 -0.116863D+02  0.271559D+01
      2  -0.364185D+00 -0.537463D+01  0.167950D+00  0.234880D+01  0.982613D-01
      3  -0.166801D+00  0.277272D+01 -0.103210D+01  0.152535D+00  0.153198D+02
               101           102           103           104           105 
      1  -0.113368D+01 -0.422056D+01 -0.771419D+00  0.508658D+01 -0.452915D+01
      2  -0.164098D+01  0.402620D+01  0.604156D+00  0.543574D+00  0.180852D+01
      3  -0.118020D+02 -0.205005D+01 -0.550012D+00  0.990857D+01  0.141998D+01
               106           107           108           109           110 
      1  -0.243087D+01  0.232512D+01  0.232868D+01 -0.208205D+01 -0.150192D+01
      2  -0.306199D+01  0.118800D+01 -0.550168D+00  0.455040D+01  0.163811D+01
      3  -0.501734D+01  0.156741D+01  0.104340D+01  0.384839D+01  0.758923D+01
               111           112           113           114           115 
      1  -0.298497D+01 -0.302538D+01 -0.397466D+01  0.123294D+01  0.307355D+00
      2   0.259177D+01  0.226301D+01  0.616749D+01  0.351099D+00 -0.727479D+01
      3  -0.854730D+00  0.177193D+02  0.669865D+01 -0.456311D+01  0.736214D+00
               116           117           118           119           120 
      1   0.218747D+01  0.598300D+01  0.356593D+00  0.468697D+00  0.410316D+00
      2  -0.483533D+01 -0.256346D+02 -0.133383D+01  0.297132D+00  0.249739D+01
      3  -0.587745D+01  0.473524D+01 -0.104110D+00  0.212138D+00 -0.549677D+00
               121           122           123           124           125 
      1   0.204034D+00  0.116268D+00 -0.943930D+00 -0.176506D+00  0.461107D+01
      2  -0.517994D+00 -0.186784D+01  0.426782D+00 -0.395803D+01  0.119862D+00
      3   0.287450D+01 -0.793456D+00  0.176164D+01 -0.306736D+00  0.346933D+01
               126           127           128           129           130 
      1   0.299185D+01  0.415746D+00  0.133369D+00 -0.240429D+01  0.157838D+00
      2  -0.138274D+02 -0.113343D-01 -0.196479D+01  0.582123D+01  0.490429D+00
      3  -0.125243D+01  0.299554D+01 -0.287437D+01  0.727627D+00  0.109557D+02
               131           132           133           134           135 
      1   0.463704D+00 -0.511413D+01  0.996957D-02  0.651732D+01 -0.194914D+02
      2   0.323599D-01 -0.184369D+00 -0.210704D+00 -0.724564D+00  0.592115D+01
      3  -0.525130D+01 -0.584318D-02  0.644268D+00 -0.544363D+00  0.210294D+01
               136           137           138           139           140 
      1  -0.222163D+01 -0.269956D+00 -0.536426D+00  0.328025D+00 -0.123914D+01
      2   0.978447D+00  0.183325D+00  0.117674D+01  0.693355D+00  0.812294D+00
      3   0.348143D-01 -0.201827D+01  0.221921D+01  0.296230D+00  0.377088D+00
               141           142           143           144           145 
      1  -0.104236D+01 -0.323851D+00  0.291484D+01 -0.140850D+02  0.198636D+01
      2  -0.244475D-01 -0.464827D+01  0.116413D+01  0.856371D+01  0.566315D+01
      3  -0.589420D+00  0.373172D+01 -0.526896D+00  0.653629D+00 -0.205341D+02
               146           147           148           149           150 
      1   0.469272D-02  0.318572D+01  0.225673D+00  0.571409D+00 -0.725419D-01
      2  -0.514219D+00  0.547822D+01  0.328614D+00  0.485263D+00 -0.194000D+00
      3  -0.402000D+01 -0.211157D+01 -0.216502D+01 -0.270704D+01 -0.844427D+00
               151           152           153           154           155 
      1   0.173121D+01  0.203609D+00  0.327757D+00  0.987799D+00  0.112042D+01
      2   0.215808D+01 -0.716715D+00  0.828457D+00 -0.899051D+00 -0.708627D+00
      3  -0.454933D+01 -0.148456D+01 -0.126553D+01 -0.482600D+01 -0.650481D+01
               156           157           158           159           160 
      1  -0.128761D+01  0.176196D+01  0.306899D+01 -0.262653D+01 -0.871032D+00
      2   0.249856D+01 -0.107377D+01 -0.257057D+01  0.461252D+01  0.834960D+00
      3  -0.181899D+00 -0.465636D+01 -0.220995D+02  0.139223D+01  0.817424D-01
               161           162           163           164           165 
      1  -0.452263D-01  0.329948D+00 -0.169815D+01  0.162003D+01  0.282351D+01
      2   0.169294D+01 -0.300340D-01 -0.322419D+00  0.723724D+00 -0.192225D+00
      3   0.315769D+01 -0.972224D+00 -0.123533D+02  0.863810D+01  0.135872D+01
               166           167           168           169           170 
      1   0.134668D+01 -0.239786D+01 -0.475760D+01  0.645679D+00 -0.136287D+01
      2   0.467605D+00 -0.101748D+01 -0.161357D+00 -0.889318D+00  0.117626D+00
      3   0.101873D+02 -0.122658D+02 -0.710427D+00  0.244025D+01 -0.152992D+01
               171           172           173           174           175 
      1  -0.137356D+00 -0.502505D+00 -0.696761D+00  0.412977D+01  0.371514D+00
      2  -0.242625D+00 -0.502862D+01  0.107471D+01  0.779923D+01 -0.146855D+01
      3  -0.909125D+00  0.167391D+01 -0.213066D+02  0.836602D-01 -0.121616D+02
               176           177           178           179           180 
      1  -0.267182D+01 -0.410112D+01 -0.252700D+00  0.485546D+01 -0.211711D+01
      2  -0.284352D+01  0.211625D+00  0.221094D+01 -0.217889D+01 -0.295236D+01
      3  -0.106734D+02  0.304420D+01  0.475244D+00  0.675741D+01  0.200758D+01
               181           182           183           184           185 
      1  -0.313991D+00  0.871767D-01  0.469711D-01  0.501198D+00 -0.233940D+00
      2   0.417992D+01 -0.827936D+00 -0.463032D+00 -0.177649D+00  0.263527D+01
      3  -0.143479D+01 -0.144126D+01  0.849602D+00 -0.110665D+01 -0.102841D+01
               186           187           188           189           190 
      1  -0.284091D+00 -0.116791D+01  0.408198D+01 -0.468881D+01  0.168408D+01
      2  -0.464164D+00 -0.162661D+01  0.431905D+01  0.276602D+02 -0.279934D+01
      3  -0.258825D+01  0.189763D+01 -0.499959D+01 -0.355437D+01 -0.467445D+01
               191           192           193           194           195 
      1   0.959641D+00 -0.151716D+01  0.136571D+01  0.274103D+01 -0.321117D+01
      2  -0.133276D+01  0.335428D+01 -0.136392D+01 -0.411766D+01  0.398406D+01
      3  -0.742238D+01  0.338983D+00 -0.418926D+01 -0.194594D+02  0.305834D+01
               196           197           198           199           200 
      1  -0.956431D+00 -0.170925D+00  0.531294D+00  0.134812D+01 -0.418182D+00
      2   0.194627D+01  0.348878D+01 -0.761777D+00 -0.107013D+01 -0.110749D+00
      3  -0.205529D+00  0.573442D+01 -0.281703D+01 -0.650301D+00  0.560700D+00
               201           202           203           204           205 
      1   0.253493D+01  0.134667D+00  0.274142D+01 -0.285719D+01 -0.363684D+00
      2  -0.964397D+00 -0.585395D+00 -0.114149D+01  0.111346D+01 -0.271734D+01
      3  -0.149361D+01  0.113824D+01 -0.122754D+01  0.658175D+00 -0.464240D+01
               206           207           208           209           210 
      1  -0.634982D+01  0.222753D+02  0.512299D+00  0.909901D+00 -0.848680D+00
      2   0.286440D+01 -0.667387D+01  0.109693D+01  0.117449D+00 -0.103097D+01
      3   0.246422D+01 -0.278892D+01  0.772944D+01  0.937565D+01 -0.694850D+00
               211           212           213           214           215 
      1   0.711162D+00  0.271576D+01 -0.323830D+01  0.530671D-01 -0.434948D+00
      2   0.103175D+01  0.376016D+00 -0.458349D+01 -0.895839D+00 -0.157821D+01
      3   0.689587D+01  0.267895D+02 -0.112101D+01 -0.187337D+01 -0.368178D+01
               216 
      1   0.223754D+00
      2  -0.957350D-01
      3   0.163588D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.686260D+01 -0.207280D+01  0.106342D+00  0.670899D+01 -0.423301D+00
      2  -0.691759D+01  0.126175D+02 -0.207164D+01  0.227669D+01 -0.782057D+01
      3   0.549870D-01 -0.105447D+02  0.196530D+01 -0.898568D+01  0.824387D+01
      4   0.898033D+01 -0.164613D+02 -0.174755D+01 -0.194354D+02  0.120449D+02
      5   0.474257D+01 -0.204892D+01 -0.371958D+01 -0.461100D+01  0.162385D+01
      6  -0.133603D+01  0.383044D+01  0.374440D+01  0.362862D+01 -0.428972D+01
                 6             7             8             9            10 
      1   0.111070D+01  0.427861D+01  0.456902D+00  0.109406D+02 -0.262211D+02
      2   0.457179D+00  0.118697D+01 -0.725643D+01  0.865309D+01  0.132570D+02
      3  -0.156788D+01 -0.546558D+01  0.679953D+01 -0.195937D+02  0.129642D+02
      4   0.259789D+01 -0.473518D+01  0.829916D+01  0.200522D+01 -0.853908D+01
      5   0.317360D+01  0.430032D-01  0.273533D+01 -0.269918D+02 -0.835823D+01
      6  -0.677411D+01  0.163691D+01 -0.144342D+01  0.245771D+02 -0.128958D+01
                11            12            13            14            15 
      1  -0.850283D+01 -0.147813D+01 -0.127049D+02  0.819142D+01  0.156901D+01
      2   0.388844D+01  0.528881D+01  0.780098D+01 -0.250109D+01 -0.308496D+00
      3   0.461439D+01 -0.381068D+01  0.490391D+01 -0.569034D+01 -0.126051D+01
      4  -0.381044D+01 -0.592714D+00  0.683866D+01  0.182759D+01 -0.130251D+01
      5  -0.155270D+01 -0.314970D+01 -0.491917D+00 -0.324633D+00 -0.580710D+01
      6  -0.277318D+01 -0.546190D-01 -0.104348D+01 -0.113120D+01 -0.115100D+01
                16            17            18            19            20 
      1  -0.146911D+02 -0.195351D+01  0.114467D+02 -0.106260D+02  0.917951D+01
      2   0.734537D+01 -0.103072D+01  0.871889D+01  0.799267D+01 -0.152487D+02
      3   0.734577D+01  0.298423D+01 -0.201656D+02  0.263334D+01  0.606924D+01
      4  -0.142058D+01 -0.170248D+01 -0.180999D+01  0.161924D+01 -0.389580D+01
      5  -0.732976D+00 -0.263707D+01  0.370714D+02  0.195383D+01  0.154706D+01
      6   0.515999D-01 -0.474403D+00  0.138277D+02  0.975498D+00  0.175975D+01
                21            22            23            24            25 
      1  -0.104038D+01  0.617898D+01  0.596351D+01 -0.459393D+01 -0.140760D+01
      2  -0.157447D+01 -0.125465D+02 -0.144632D+02  0.457905D+00  0.457372D+01
      3   0.261485D+01  0.636752D+01  0.849964D+01  0.413602D+01 -0.316613D+01
      4   0.126197D+01 -0.833194D+01 -0.134520D+02 -0.538754D+00  0.396711D+01
      5  -0.273644D+01  0.235613D+01  0.145245D+01 -0.135919D+01  0.691877D+00
      6  -0.256286D+01 -0.495238D+00  0.591551D+01 -0.573448D+01 -0.132834D+01
                26            27            28            29            30 
      1  -0.370483D+01  0.987366D+01 -0.120515D+02 -0.129726D+01 -0.526177D+01
      2   0.989870D+01  0.119399D+02  0.471350D+01  0.133146D+00  0.225048D+01
      3  -0.619387D+01 -0.218135D+02  0.733803D+01  0.116411D+01  0.301129D+01
      4   0.366171D+01 -0.445379D+00 -0.908861D+01 -0.113774D+01 -0.267314D+01
      5  -0.163369D+00 -0.657107D+01 -0.615845D+01 -0.153870D+01 -0.748842D+01
      6   0.101763D+01 -0.294045D+02 -0.301062D+01  0.114503D+00 -0.413736D+01
                31            32            33            34            35 
      1  -0.234223D+00  0.204956D+02 -0.475189D-01 -0.444597D+01 -0.413806D+00
      2   0.143969D+01 -0.206418D+02 -0.347764D+01 -0.178156D+01 -0.263613D+01
      3  -0.120547D+01  0.146154D+00  0.352516D+01  0.622754D+01  0.304994D+01
      4  -0.623445D+01  0.763763D+00 -0.277357D+01  0.145355D+01 -0.153169D+01
      5   0.253619D+01 -0.205739D+01 -0.826090D+01 -0.375172D+01  0.652793D+00
      6  -0.123935D+00  0.101451D+01 -0.887210D+01 -0.214952D+01 -0.929775D+00
                36            37            38            39            40 
      1   0.100276D+02  0.211236D+02 -0.408121D+01 -0.126433D+01 -0.102997D+01
      2   0.106967D+02 -0.144204D+02  0.439186D+01 -0.150360D+01  0.328664D+00
      3  -0.207243D+02 -0.670323D+01 -0.310655D+00  0.276793D+01  0.701308D+00
      4   0.118608D+01 -0.732845D+01  0.157016D+02 -0.163337D+01  0.159339D+02
      5   0.378624D+02  0.226578D+01 -0.744151D-01  0.205388D+02 -0.210192D+01
      6   0.625593D+01 -0.625105D+00  0.272450D+01  0.907451D+01  0.174123D+00
                41            42            43            44            45 
      1  -0.160424D+02  0.345400D+01  0.626992D+01  0.417064D+01 -0.728134D+01
      2   0.224211D+02  0.107124D+00 -0.600238D+01 -0.414854D+01 -0.589078D+01
      3  -0.637870D+01 -0.356112D+01 -0.267547D+00 -0.221067D-01  0.131721D+02
      4  -0.763826D+00  0.153086D+01 -0.481515D+01  0.232600D+01 -0.246298D+01
      5   0.547715D+00  0.825895D+01  0.786667D+01  0.263328D-01  0.850313D+00
      6  -0.365093D+01  0.136030D+02 -0.353907D+00  0.776372D+01  0.133003D+01
                46            47            48            49            50 
      1  -0.208542D+02  0.103316D+02  0.638104D+01 -0.228153D+01  0.103730D+02
      2   0.192862D+02 -0.125629D+02 -0.136624D+01 -0.358836D+01 -0.256233D+02
      3   0.156808D+01  0.223128D+01 -0.501480D+01  0.586988D+01  0.152503D+02
      4   0.466558D+01 -0.106057D+02  0.604003D+00 -0.141121D+02 -0.133254D+02
      5   0.168312D+00 -0.139507D+00 -0.162430D+02  0.191635D+01  0.931494D+00
      6  -0.171310D+00 -0.345299D+01 -0.744961D+01  0.101900D+01  0.178373D+01
                51            52            53            54            55 
      1  -0.609650D+00  0.268670D+01 -0.120016D+01  0.130915D+02 -0.244535D+02
      2   0.134654D+00  0.650713D+00  0.109093D+02  0.119351D+02  0.186793D+02
      3   0.474996D+00 -0.333741D+01 -0.970916D+01 -0.250266D+02  0.577418D+01
      4   0.208561D+01  0.405748D+01 -0.213536D+00 -0.593272D+00  0.532795D+01
      5   0.510203D+00 -0.400311D+01 -0.266107D+01 -0.202896D+02 -0.876408D+01
      6  -0.552650D+01 -0.174332D+01 -0.409740D+01 -0.374279D+02  0.811673D+01
                56            57            58            59            60 
      1  -0.125560D+01 -0.603476D+01 -0.703908D+01 -0.114651D+02 -0.485474D+01
      2  -0.564489D+01  0.545491D+01 -0.467173D+01  0.313682D+02  0.256427D+01
      3   0.690049D+01  0.579848D+00  0.117108D+02 -0.199031D+02  0.229047D+01
      4   0.211295D+02  0.581599D+01  0.306183D+02 -0.375617D+02 -0.534377D+01
      5   0.199720D+01  0.651106D+01  0.261492D+01 -0.552540D+01 -0.513718D+01
      6  -0.254048D+01 -0.846390D+00 -0.277527D+01  0.799562D+01  0.131565D+02
                61            62            63            64            65 
      1  -0.117398D+02 -0.279178D+01 -0.695153D+01 -0.371045D+00 -0.505087D+00
      2   0.461786D+01  0.821093D+01 -0.768539D+00 -0.258496D+01 -0.756226D+00
      3   0.712190D+01 -0.541916D+01  0.772007D+01  0.295601D+01  0.126131D+01
      4   0.150304D+02 -0.130841D+02 -0.737429D+01 -0.575434D+00  0.414429D+01
      5   0.891350D+01 -0.803683D+01 -0.503221D+01  0.295655D+01 -0.507876D+00
      6  -0.460777D+01  0.133557D+02  0.445394D+01 -0.236181D+01 -0.596600D+00
                66            67            68            69            70 
      1   0.311337D+01 -0.344811D+00 -0.301672D+01  0.232146D+01  0.398484D+01
      2  -0.167359D+01 -0.821324D+00  0.852922D+00 -0.287308D+01 -0.267770D+01
      3  -0.143977D+01  0.116613D+01  0.216380D+01  0.551619D+00 -0.130715D+01
      4  -0.243058D+01  0.387647D+01 -0.136979D+01  0.280342D+01 -0.464243D+01
      5   0.748682D+01  0.260369D+00  0.256150D+01 -0.975249D-01  0.615300D+01
      6   0.101429D+01  0.225752D+00 -0.332579D+01  0.823610D+01 -0.136565D+01
                71            72            73            74            75 
      1   0.346327D+01 -0.184113D+02  0.650241D+02  0.334923D+00  0.436009D+01
      2  -0.318961D+01 -0.169749D+02 -0.405316D+02 -0.211579D+01 -0.642952D+01
      3  -0.273661D+00  0.353862D+02 -0.244924D+02  0.178087D+01  0.206944D+01
      4   0.503266D+01 -0.161539D+01  0.477981D+01  0.400563D+01  0.206157D+01
      5  -0.196746D+01  0.238917D+02  0.108673D+02  0.197457D+01  0.131399D+02
      6   0.666718D+01 -0.225296D+02  0.138954D+01  0.133872D+01  0.241762D+00
                76            77            78            79            80 
      1  -0.149836D+02 -0.603978D+01 -0.180761D+01  0.181742D+02  0.222914D+01
      2   0.528375D+01 -0.991338D+00  0.198794D+01 -0.114874D+02  0.812107D+00
      3   0.969984D+01  0.703112D+01 -0.180336D+00 -0.668682D+01 -0.304124D+01
      4  -0.838239D+01 -0.306091D+02  0.545600D+01  0.650597D+01  0.944560D+01
      5   0.354236D+00  0.646237D+01 -0.404191D+01  0.175682D+02  0.134538D+01
      6  -0.105326D+00  0.101872D+01  0.453494D+01  0.253887D+01  0.473358D+01
                81            82            83            84            85 
      1   0.404013D+01  0.286225D+01  0.148062D+01 -0.493327D+01  0.159797D+01
      2  -0.110869D+02 -0.456555D+01 -0.974624D+00  0.257989D+01 -0.942824D+00
      3   0.704677D+01  0.170330D+01 -0.505998D+00  0.235338D+01 -0.655141D+00
      4   0.148978D+01  0.133320D+01  0.912881D+00 -0.776152D+00  0.126261D+01
      5   0.549788D+01 -0.382928D+01 -0.205094D+00  0.677065D+01  0.117930D+00
      6   0.167125D+01 -0.804269D+00  0.367253D+00 -0.714980D+00 -0.695327D+00
                86            87            88            89            90 
      1  -0.509470D+01  0.166339D+01 -0.705219D+01  0.118019D+01 -0.184385D+02
      2   0.100968D+01 -0.119784D+01  0.522924D+01 -0.972096D+00 -0.177058D+02
      3   0.408502D+01 -0.465559D+00  0.182295D+01 -0.208096D+00  0.361444D+02
      4   0.419597D-01 -0.395844D+01 -0.258027D+01 -0.565407D+01  0.127859D+01
      5  -0.426838D+01  0.102373D+01  0.705778D+01  0.213234D+01 -0.332655D+02
      6  -0.187597D+01  0.950035D+01  0.481420D+00  0.615777D+01 -0.992105D+01
                91            92            93            94            95 
      1   0.199497D+01 -0.139596D+01  0.111471D+01 -0.204851D+01 -0.407449D+01
      2  -0.509651D+01  0.191642D+01 -0.274098D+00  0.238590D+01  0.165533D+01
      3   0.310154D+01 -0.520464D+00 -0.840614D+00 -0.337384D+00  0.241916D+01
      4  -0.555389D+00  0.196683D+01  0.244323D+01  0.236620D+01  0.136222D+01
      5   0.928890D+00  0.300423D+00  0.746748D+01 -0.145158D+00  0.646128D+00
      6   0.316319D+01 -0.138283D+00 -0.362183D+00  0.207621D+00  0.294826D+01
                96            97            98            99           100 
      1  -0.221168D+01  0.100856D+01 -0.507512D+01 -0.197892D+02  0.125239D+02
      2   0.396329D+01 -0.142733D+01  0.642618D+01 -0.183052D+02 -0.637458D+01
      3  -0.175160D+01  0.418765D+00 -0.135106D+01  0.380944D+02 -0.614933D+01
      4   0.948119D+00  0.399018D+01  0.173632D+01  0.377655D+00  0.212227D+02
      5  -0.361293D+00  0.552030D+01  0.241814D+00  0.632401D+01 -0.203287D+01
      6   0.727042D+01  0.100640D+01  0.647543D+01  0.267885D+02 -0.514892D+01
               101           102           103           104           105 
      1  -0.220784D+02  0.141689D+00 -0.129745D+02 -0.719245D+01  0.610822D+01
      2   0.387455D+02  0.195626D+01  0.251476D+02  0.166076D+02 -0.375574D+01
      3  -0.166671D+02 -0.209795D+01 -0.121730D+02 -0.941511D+01 -0.235249D+01
      4   0.145988D+02 -0.425458D+01  0.153482D+02  0.293985D+02 -0.552452D+00
      5  -0.534455D+00  0.877788D+01 -0.884980D+00 -0.310688D+01  0.270518D+01
      6  -0.802065D+00  0.658735D+01  0.536407D+00 -0.808562D+01  0.104060D+02
               106           107           108           109           110 
      1  -0.908910D+00  0.103993D+02 -0.784913D+01  0.352906D+01  0.258967D+01
      2  -0.415375D+00 -0.156591D+02  0.556395D+00 -0.497949D+01 -0.166879D+01
      3   0.132428D+01  0.525976D+01  0.729273D+01  0.145043D+01 -0.920874D+00
      4  -0.724524D+01 -0.452512D+01  0.520043D+01  0.820212D+01 -0.209748D+02
      5   0.632075D+01  0.321399D+01 -0.799201D+00  0.148633D+02  0.280577D+01
      6   0.614226D+01  0.135392D+02 -0.493139D+01  0.366263D+01  0.284687D+01
               111           112           113           114           115 
      1   0.643616D+01  0.157473D+02 -0.259691D+02  0.360102D+01  0.183506D+02
      2  -0.689247D+01 -0.120832D+02  0.588598D+01  0.453872D+01 -0.541432D+01
      3   0.456311D+00 -0.366410D+01  0.200831D+02 -0.813975D+01 -0.129362D+02
      4   0.441861D+01 -0.374403D+02 -0.213335D+02  0.861636D+01 -0.235462D+01
      5   0.370666D+00 -0.103847D+01  0.972160D+01  0.221091D+01 -0.658102D+01
      6   0.649407D+01  0.867558D+00  0.134791D+01 -0.583068D+01 -0.114925D+01
               116           117           118           119           120 
      1   0.150866D+01  0.113706D+02  0.443011D+01  0.114583D+01 -0.299673D+01
      2   0.156836D+01  0.140632D+02 -0.569327D+01 -0.100900D+01  0.192893D+01
      3  -0.307702D+01 -0.254337D+02  0.126315D+01 -0.136833D+00  0.106780D+01
      4   0.122114D+02 -0.127234D+02  0.812792D+00  0.174296D+01  0.590997D+00
      5  -0.101596D+02 -0.506817D+02 -0.349343D+01  0.381425D+00  0.986475D+01
      6  -0.180110D+01 -0.405605D+01 -0.225704D+00 -0.294546D-01 -0.486070D+00
               121           122           123           124           125 
      1   0.144724D+01 -0.551093D+01 -0.101634D+01 -0.619136D+01  0.118128D+01
      2  -0.117674D+01  0.202424D+01  0.119221D+00  0.770219D+01  0.984743D-01
      3  -0.270491D+00  0.348669D+01  0.897121D+00 -0.151083D+01 -0.127975D+01
      4   0.206714D+01  0.431521D+00 -0.248894D+01 -0.694489D+00 -0.362614D+01
      5  -0.818108D+00 -0.357924D+01  0.152958D+01  0.936917D+01  0.113393D+01
      6  -0.677932D+00 -0.396621D+00  0.863419D+01  0.108289D+01  0.567181D+01
               126           127           128           129           130 
      1  -0.182282D+02  0.805920D+01 -0.427016D+01  0.111009D+01 -0.826987D+00
      2  -0.186386D+02  0.207750D+01  0.107961D+02 -0.296729D+00  0.812822D+01
      3   0.368668D+02 -0.101367D+02 -0.652599D+01 -0.813361D+00 -0.730123D+01
      4   0.470466D+00  0.836327D+01  0.193626D+02 -0.111752D+01  0.214797D+02
      5  -0.287424D+02 -0.176963D+01 -0.149857D+01  0.818363D+01 -0.173620D+01
      6  -0.352110D+01 -0.130112D+01 -0.225901D+01  0.473920D+01 -0.348245D+00
               131           132           133           134           135 
      1  -0.364003D+02 -0.863139D-03 -0.241288D+00 -0.688732D+01  0.506717D+01
      2   0.683269D+02  0.172223D+01  0.641496D+00  0.537441D+01 -0.212283D+01
      3  -0.319266D+02 -0.172137D+01 -0.400208D+00  0.151291D+01 -0.294434D+01
      4   0.255090D+02 -0.404101D+00  0.829701D+00  0.139496D+01  0.146799D+01
      5  -0.147802D+00 -0.656388D-01  0.548515D+01 -0.264367D+00  0.995416D+01
      6  -0.122759D+01  0.841484D+01  0.267325D+01  0.149030D+01  0.332335D+02
               136           137           138           139           140 
      1   0.760752D+00 -0.903246D+00  0.144652D+01 -0.149383D+01 -0.598400D+01
      2  -0.378795D+01  0.951261D+00 -0.132252D+00  0.177837D+01  0.446451D+01
      3   0.302720D+01 -0.480146D-01 -0.131426D+01 -0.284540D+00  0.151948D+01
      4  -0.149410D+00  0.363642D+01  0.381958D+01  0.284869D+01  0.223890D+01
      5   0.185206D+01  0.105226D+01  0.877030D+01  0.133752D+00  0.134652D+01
      6   0.456804D+01  0.325038D+00  0.102347D+01  0.225790D+00  0.443639D+01
               141           142           143           144           145 
      1  -0.243833D+01  0.667641D+00 -0.795018D+01 -0.221290D+02  0.488723D+02
      2   0.389833D+01 -0.806821D+00  0.528576D+01 -0.139323D+02 -0.228423D+02
      3  -0.145999D+01  0.139180D+00  0.266442D+01  0.360613D+02 -0.260301D+02
      4   0.114270D+01  0.527475D+01  0.417484D+01  0.191623D+01 -0.362561D+02
      5  -0.256002D+00  0.656163D+01  0.284972D+01  0.139842D+02  0.229816D+01
      6   0.826494D+01  0.239109D+01  0.116416D+02  0.333350D+02 -0.394522D+01
               146           147           148           149           150 
      1  -0.317261D+01  0.489168D+01  0.216961D+01  0.230407D+01  0.852053D+00
      2  -0.432737D+01 -0.196386D+01 -0.299721D+01  0.235598D+00 -0.112004D+01
      3   0.749998D+01 -0.292783D+01  0.827597D+00 -0.253967D+01  0.267990D+00
      4   0.144610D+02 -0.230036D+01  0.366514D+01 -0.123160D+01  0.841573D+00
      5   0.221069D+00  0.754396D+01  0.502778D+00  0.100410D+01 -0.946960D+00
      6  -0.374721D+00 -0.594160D+01 -0.356001D+00 -0.474709D+00  0.223854D-01
               151           152           153           154           155 
      1   0.921099D+01 -0.120043D+00  0.366118D+01  0.151276D+02  0.100344D+02
      2  -0.497426D+01 -0.125381D+01 -0.210777D+01 -0.430766D+01 -0.133929D+01
      3  -0.423673D+01  0.137385D+01 -0.155342D+01 -0.108200D+02 -0.869515D+01
      4  -0.680726D+01  0.269261D+01 -0.338954D+01  0.151238D+02  0.180885D+02
      5   0.600098D+01 -0.114683D+01  0.163732D+01 -0.313751D+00  0.292544D-01
      6  -0.355064D+01  0.179762D+01 -0.247463D+00  0.158412D+00  0.103789D+01
               156           157           158           159           160 
      1  -0.137279D+01  0.244022D+02  0.108891D+02  0.289812D+00 -0.341279D+01
      2   0.181262D+00 -0.791730D+01  0.663067D+01 -0.164322D+01  0.140786D+01
      3   0.119153D+01 -0.164849D+02 -0.175198D+02  0.135341D+01  0.200493D+01
      4  -0.507606D+00  0.278462D+02  0.400347D+02 -0.172716D+01 -0.347569D+01
      5   0.438492D+01  0.576636D+00 -0.209197D+01  0.774141D+01  0.437834D+01
      6   0.198641D+01  0.133527D+01  0.113878D+01  0.288525D+01  0.164901D+01
               161           162           163           164           165 
      1  -0.117055D+01  0.196688D+01 -0.617048D+01  0.178007D+02  0.235952D+00
      2  -0.720471D+00 -0.667200D+00  0.103691D+02 -0.284489D+02 -0.976705D+00
      3   0.189102D+01 -0.129968D+01 -0.419866D+01  0.106481D+02  0.740753D+00
      4  -0.488826D+01  0.362041D+01 -0.102463D+02  0.642199D+01  0.135785D+01
      5   0.362027D+01  0.150577D+00  0.369789D+00 -0.895866D+00 -0.135611D+01
      6   0.275438D+01 -0.799104D+00  0.162274D+01 -0.520215D+00 -0.380012D+01
               166           167           168           169           170 
      1   0.899209D+01 -0.289439D+02 -0.613868D+00  0.104795D+01 -0.392217D+01
      2  -0.135109D+02  0.487604D+02  0.205732D+01 -0.167510D+01  0.581471D+01
      3   0.451886D+01 -0.198164D+02 -0.144345D+01  0.627149D+00 -0.189254D+01
      4   0.985871D+01 -0.648721D+01 -0.423661D+00  0.169262D+01 -0.120586D+01
      5  -0.737203D+00  0.101504D+01  0.463302D+00  0.978952D+00  0.114206D+00
      6  -0.689051D+00  0.853187D+00  0.732355D+01 -0.167293D+01  0.550182D+01
               171           172           173           174           175 
      1  -0.286274D+01  0.692067D+02 -0.995747D+01 -0.762931D+01 -0.106024D+02
      2   0.374919D+01 -0.363559D+02 -0.239016D+01  0.749315D+01  0.991516D+00
      3  -0.886448D+00 -0.328509D+02  0.123476D+02  0.136163D+00  0.961092D+01
      4  -0.866474D+00 -0.270978D+02  0.334586D+02  0.557555D+00  0.356247D+02
      5  -0.855263D+00 -0.111712D+02 -0.173909D+00  0.158928D+02  0.114331D+01
      6   0.282603D+00  0.969931D+00 -0.577538D+00 -0.576398D+01 -0.393820D+00
               176           177           178           179           180 
      1   0.298391D+02 -0.550916D+01 -0.185811D+02  0.582801D+00  0.600761D+01
      2  -0.170215D+02  0.740081D+00  0.101394D+02  0.227085D+01 -0.122763D+02
      3  -0.128177D+02  0.476907D+01  0.844172D+01 -0.285365D+01  0.626871D+01
      4   0.501133D+01 -0.526429D+01  0.777190D+01 -0.113890D+02 -0.546798D+01
      5  -0.704654D+01  0.787943D+00  0.207480D+02 -0.603398D+01 -0.598740D+01
      6   0.328648D+01  0.998740D+01 -0.392838D+01  0.662322D+01  0.424803D+01
               181           182           183           184           185 
      1  -0.155012D+01  0.168665D+01  0.836374D+01 -0.246666D+01  0.425227D+00
      2  -0.189395D+01 -0.501279D+00 -0.398826D+01  0.210421D+01 -0.146567D+01
      3   0.344408D+01 -0.118537D+01 -0.437547D+01  0.362452D+00  0.104044D+01
      4   0.131925D+01  0.396789D+01 -0.173552D+00  0.622361D+01  0.331914D+01
      5   0.646240D+01 -0.126198D+00  0.484271D+01  0.662115D-01  0.514413D+01
      6  -0.812657D-01 -0.816769D+00 -0.548157D+00  0.384884D+00  0.953296D+00
               186           187           188           189           190 
      1  -0.122901D+01  0.122329D+02 -0.489116D+01 -0.161860D+02  0.204702D+02
      2   0.385298D+00 -0.977864D+01  0.266059D+00 -0.207508D+02 -0.727123D+01
      3   0.843711D+00 -0.245425D+01  0.462510D+01  0.369368D+02 -0.131990D+02
      4   0.522930D+01  0.256947D+00  0.932808D+01  0.990805D+01  0.186078D+02
      5  -0.138071D+01  0.145561D+02  0.771586D+01  0.556090D+02 -0.491712D+01
      6   0.663506D+01  0.102846D+01  0.681267D+01  0.513660D+01 -0.116864D+01
               191           192           193           194           195 
      1   0.133526D+02 -0.494693D+01  0.195521D+02  0.997560D+01 -0.729853D+00
      2  -0.391621D+01  0.167758D+01 -0.632720D+01  0.732200D+01 -0.150106D+01
      3  -0.943637D+01  0.326935D+01 -0.132249D+02 -0.172976D+02  0.223091D+01
      4   0.213492D+02 -0.241909D+01  0.257526D+02  0.423431D+02 -0.639826D+01
      5  -0.182469D+01  0.609082D+01 -0.177573D+01 -0.584509D+01  0.695586D+01
      6  -0.485975D+00  0.204379D+01 -0.429219D+00 -0.202568D+01  0.425388D+01
               196           197           198           199           200 
      1  -0.102240D+02 -0.189984D+01  0.194658D+01 -0.176602D+01  0.205961D+01
      2   0.454379D+01 -0.508538D+00 -0.265433D+01  0.913354D+00 -0.196650D+01
      3   0.568017D+01  0.240838D+01  0.707758D+00  0.852662D+00 -0.931122D-01
      4  -0.454133D+01 -0.116320D+02  0.759367D+01  0.171512D+00  0.193270D+01
      5   0.745192D+01  0.775253D+01 -0.161126D+01 -0.379503D-01 -0.403671D+00
      6   0.219116D+01  0.433606D+01 -0.238199D+01 -0.247581D+01  0.168256D+01
               201           202           203           204           205 
      1  -0.219780D+01  0.108977D+01 -0.525289D+01  0.284393D+01 -0.250510D+01
      2   0.106126D+01 -0.704040D+00  0.754068D+01 -0.488500D+01  0.247426D+00
      3   0.113654D+01 -0.385726D+00 -0.228778D+01  0.204107D+01  0.225768D+01
      4  -0.250180D+01  0.267309D+01  0.147291D+01 -0.126718D+01 -0.761071D+01
      5   0.288323D+00 -0.293911D+00 -0.110775D+01  0.182530D+01  0.228637D+01
      6  -0.453109D+01 -0.269318D+00 -0.511668D+01  0.691353D+01  0.191716D+00
               206           207           208           209           210 
      1   0.140180D+02 -0.166478D+02 -0.110440D+02 -0.831782D+01  0.178635D+01
      2  -0.164445D+02  0.576598D+01  0.746465D+01  0.833747D+01 -0.894853D+00
      3   0.242650D+01  0.108818D+02  0.357937D+01 -0.196457D-01 -0.891499D+00
      4  -0.574152D+01  0.277612D+01  0.946482D+00 -0.106124D+02  0.212517D-01
      5   0.434390D+01 -0.112432D+02  0.136571D+01  0.104014D+01 -0.248542D+01
      6   0.182834D+02 -0.395189D+02 -0.681315D+00 -0.660254D+00  0.249757D+00
               211           212           213           214           215 
      1  -0.199480D+02 -0.166354D+02  0.196588D+01  0.332254D+01  0.290724D+01
      2   0.118075D+02  0.246003D+02 -0.260532D+01 -0.201091D+01 -0.299904D+01
      3   0.814046D+01 -0.796493D+01  0.639436D+00 -0.131163D+01  0.918008D-01
      4   0.395729D+01 -0.380261D+02  0.143987D+01  0.923224D-01  0.489047D+01
      5   0.205578D+01  0.264417D+01 -0.947156D+01  0.142162D+01 -0.316857D+01
      6   0.457686D-01 -0.126732D+01  0.359340D+01  0.423956D+00  0.350624D+01
               216 
      1  -0.116325D+01
      2   0.130603D+01
      3  -0.142780D+00
      4  -0.254199D+01
      5  -0.513640D+00
      6  -0.576535D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.158142D+01      0.401956D+01      0.134078D+02
   x         -0.136238D+01     -0.346281D+01     -0.115507D+02
   y         -0.336885D+00     -0.856277D+00     -0.285623D+01
   z          0.728916D+00      0.185272D+01      0.618001D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119515D+03      0.177102D+02      0.197053D+02
   aniso      0.175290D+02      0.259753D+01      0.289014D+01
   xx         0.126081D+03      0.186833D+02      0.207879D+02
   yx         0.298280D+01      0.442005D+00      0.491797D+00
   yy         0.124041D+03      0.183810D+02      0.204516D+02
   zx         0.951037D-01      0.140929D-01      0.156805D-01
   zy        -0.432297D+00     -0.640598D-01     -0.712761D-01
   zz         0.108422D+03      0.160664D+02      0.178763D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114478D+03      0.169639D+02      0.188749D+02
   aniso      0.226888D+02      0.336214D+01      0.374088D+01
   xx         0.124305D+03      0.184200D+02      0.204950D+02
   yx         0.163928D+01      0.242917D+00      0.270281D+00
   yy         0.119383D+03      0.176908D+02      0.196836D+02
   zx         0.248632D+00      0.368434D-01      0.409938D-01
   zy        -0.175408D+00     -0.259928D-01     -0.289209D-01
   zz         0.997468D+02      0.147810D+02      0.164460D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.60782697          2.02650667          1.20760356
     6         -1.02587071         -0.21894426          2.89061106
     6          0.41047883          2.31908190         -0.81472155
     6          0.71681159         -0.16453496         -2.24898687
     8          1.26567819         -2.16881965         -0.50770638
     6         -0.66471664         -2.59285612          1.28506659
     8         -1.70609045          4.33044446          2.58481217
     1         -3.42848351          1.68811748          0.27067657
     8         -3.06460931         -0.49254035          4.60838909
     1          0.74902234          0.14366959          3.90789047
     1          2.20781166          2.78112607          0.11531485
     8         -0.25163411          4.22608296         -2.57178397
     6          2.87204745         -0.12328117         -4.13338728
     1         -1.04729331         -0.59506347         -3.25075715
     8         -0.00890515         -4.67834573          2.76239493
     1         -2.44372876         -3.09413628          0.34854825
     1         -2.95042404          4.14236969          3.90351892
     1         -2.81082645         -2.03505958          5.54750065
     1         -0.74554963          5.69687945         -1.61242017
     8          3.05037122         -2.42708560         -5.48131900
     1          4.63551927          0.29522258         -3.12326499
     1          2.54125979          1.36881718         -5.50962454
     1          1.69183476         -4.41587995          3.37652689
     1          3.11682880         -3.76977784         -4.24933198

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.158142D+01      0.401956D+01      0.134078D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.158142D+01      0.401956D+01      0.134078D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119515D+03      0.177102D+02      0.197053D+02
   aniso      0.175290D+02      0.259753D+01      0.289014D+01
   xx         0.112748D+03      0.167075D+02      0.185897D+02
   yx        -0.187317D+01     -0.277575D+00     -0.308844D+00
   yy         0.122455D+03      0.181459D+02      0.201900D+02
   zx        -0.700128D+01     -0.103748D+01     -0.115435D+01
   zy        -0.391931D+01     -0.580782D+00     -0.646207D+00
   zz         0.123341D+03      0.182772D+02      0.203361D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114478D+03      0.169639D+02      0.188749D+02
   aniso      0.226888D+02      0.336214D+01      0.374088D+01
   xx         0.106047D+03      0.157146D+02      0.174848D+02
   yx        -0.324310D+01     -0.480578D+00     -0.534715D+00
   yy         0.118085D+03      0.174984D+02      0.194696D+02
   zx        -0.996335D+01     -0.147642D+01     -0.164273D+01
   zy        -0.285042D+01     -0.422388D+00     -0.469970D+00
   zz         0.119303D+03      0.176788D+02      0.196703D+02

 ----------------------------------------------------------------------
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 ARTHROPOD AXIOM: A COMPUTER SYSTEM IS LIKE A SPIDER'S WEB.
 YOU CANNOT PULL ON ONE END WITHOUT MAKING THE OTHER END MOVE.
     -- GREG WETTSTEIN
 Job cpu time:       0 days  7 hours 16 minutes 25.6 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 37.1 seconds.
 File lengths (MBytes):  RWF=    433 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:08:31 2022.
